POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12ALA A 428
LYS A 430
THR A 474
MET A 477
GLY A 480
LEU A 528
ASP A 539
None
0.57A32.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1py5 TGF-BETA RECEPTOR
TYPE I
(Homo
sapiens)
7 / 12ALA A 230
LYS A 232
GLU A 245
LEU A 278
GLY A 286
LEU A 340
ASP A 351
PY1  A 700 (-3.5A)
PY1  A 700 (-3.9A)
PY1  A 700 ( 4.9A)
PY1  A 700 (-3.8A)
PY1  A 700 (-3.6A)
PY1  A 700 (-4.4A)
PY1  A 700 (-2.7A)
0.45A25.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG
(Homo
sapiens)
7 / 12LEU A 595
ALA A 621
LYS A 623
GLU A 640
THR A 670
GLY A 676
LEU A 799
STI  A   3 ( 3.8A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-3.6A)
STI  A   3 (-3.2A)
STI  A   3 ( 3.8A)
STI  A   3 (-4.4A)
0.68A31.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1
(Homo
sapiens)
7 / 12LEU A  15
ALA A  36
LYS A  38
GLU A  55
LEU A  82
GLY A  90
LEU A 137
HYM  A 400 (-4.2A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
None
None
None
HYM  A 400 (-4.5A)
0.70A25.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
7 / 12LEU X  17
ALA X  37
LYS X  39
GLU X  54
THR X  82
MET X  85
ASP X 148
STU  X 902 (-3.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
STU  X 902 (-4.1A)
None
STU  X 902 (-3.6A)
0.77A32.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
8 / 12LEU X  17
ALA X  37
LYS X  39
GLU X  54
THR X  82
MET X  85
GLY X  88
LEU X 137
STU  X 902 (-3.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 ( 4.4A)
STU  X 902 (-4.1A)
None
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
0.59A32.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)
7 / 12LEU A 273
ALA A 293
LYS A 295
THR A 338
MET A 341
GLY A 344
LEU A 393
H8H  A 534 (-3.8A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
H8H  A 534 (-3.1A)
None
H8H  A 534 (-3.3A)
H8H  A 534 (-4.5A)
0.50A22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hck HEMATOPOETIC CELL
KINASE HCK
(Homo
sapiens)
7 / 12LEU A 273
ALA A 293
LYS A 295
THR A 338
MET A 341
GLY A 344
LEU A 393
QUE  A   1 (-3.9A)
QUE  A   1 (-3.5A)
None
QUE  A   1 (-3.3A)
None
QUE  A   1 (-3.0A)
QUE  A   1 (-4.4A)
0.70A27.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hk5 TYROSINE-PROTEIN
KINASE HCK
(Homo
sapiens)
8 / 12LEU A 251
ALA A 271
LYS A 273
GLU A 288
THR A 316
MET A 319
GLY A 322
LEU A 371
1BM  A 499 ( 3.7A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.8A)
1BM  A 499 (-3.2A)
1BM  A 499 (-3.2A)
None
1BM  A 499 (-3.5A)
1BM  A 499 (-4.4A)
0.44A34.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
8 / 12LEU A 248
ALA A 269
LYS A 271
GLU A 286
THR A 315
MET A 318
GLY A 321
LEU A 370
GIN  A 600 ( 4.6A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.4A)
None
None
GIN  A 600 (-4.7A)
0.70A36.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK
(Homo
sapiens)
8 / 12LEU A 251
ALA A 271
LYS A 273
GLU A 288
THR A 316
MET A 319
GLY A 322
LEU A 371
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.6A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 4.4A)
1N8  A 501 ( 3.5A)
1N8  A 501 ( 4.3A)
0.76A33.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens)
8 / 12ALA A 215
LYS A 217
GLU A 230
LEU A 263
THR A 265
GLY A 271
LEU A 328
ASP A 339
ADE  A 488 (-3.2A)
None
None
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
0.68A25.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
10 / 12LEU A 724
ALA A 749
LYS A 751
LEU A 794
THR A 796
LEU A 798
MET A 799
GLY A 802
LEU A 850
THR A 860
GW7  A   1 ( 4.2A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 (-4.1A)
GW7  A   1 (-4.0A)
GW7  A   1 (-4.5A)
None
GW7  A   1 (-3.6A)
GW7  A   1 (-4.2A)
GW7  A   1 (-3.5A)
0.75A75.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
10 / 12LEU A 724
ALA A 749
LYS A 751
LEU A 794
THR A 796
LEU A 798
MET A 799
LEU A 850
THR A 860
ASP A 861
GW7  A   1 ( 4.2A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 (-4.1A)
GW7  A   1 (-4.0A)
GW7  A   1 (-4.5A)
None
GW7  A   1 (-4.2A)
GW7  A   1 (-3.5A)
GW7  A   1 (-4.1A)
0.87A75.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2w4k DEATH-ASSOCIATED
PROTEIN KINASE 1
(Homo
sapiens)
7 / 12LEU A  19
ALA A  40
LYS A  42
GLU A  64
LEU A  91
LEU A  95
ASP A 161
ADP  A1303 ( 3.9A)
ADP  A1303 (-3.5A)
ADP  A1303 (-2.7A)
ADP  A1303 ( 4.8A)
None
None
MG  A1304 ( 2.8A)
0.77A25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2wnt RIBOSOMAL PROTEIN S6
KINASE
(Homo
sapiens)
7 / 12ALA A 445
LYS A 447
GLU A 459
LEU A 487
THR A 489
LEU A 491
MET A 492
None
0.62A24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2xk9 CHECKPOINT KINASE 2
(Homo
sapiens)
8 / 12LEU A 226
ALA A 247
LYS A 249
LEU A 303
MET A 304
GLY A 307
LEU A 354
THR A 367
XK9  A1511 (-3.8A)
XK9  A1511 ( 4.1A)
XK9  A1511 (-4.2A)
XK9  A1511 (-4.1A)
None
XK9  A1511 ( 3.7A)
XK9  A1511 (-4.6A)
XK9  A1511 (-3.7A)
0.85A27.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens)
8 / 12ALA A  51
LYS A  53
LEU A 105
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
B49  A1294 (-3.2A)
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
0.49A23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2y7j PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM
(Homo
sapiens)
7 / 12LYS A  53
GLU A  77
LEU A 109
MET A 110
GLY A 113
LEU A 160
ASP A 171
None
None
B49  A1294 ( 4.7A)
None
B49  A1294 (-3.6A)
B49  A1294 (-4.4A)
B49  A1294 (-4.2A)
0.74A23.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2z8c INSULIN RECEPTOR
(Homo
sapiens)
8 / 12LEU A1002
ALA A1028
LYS A1030
GLU A1047
LEU A1078
MET A1079
GLY A1082
ASP A1150
S91  A   1 ( 4.1A)
S91  A   1 (-3.2A)
S91  A   1 ( 4.2A)
None
S91  A   1 (-4.7A)
None
S91  A   1 (-3.3A)
None
0.82A32.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3d7u TYROSINE-PROTEIN
KINASE CSK
(Homo
sapiens)
7 / 12ALA A 220
LYS A 222
GLU A 236
THR A 266
MET A 269
GLY A 272
LEU A 321
None
0.49A34.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3fzp PROTEIN TYROSINE
KINASE 2 BETA
(Homo
sapiens)
7 / 12LEU A 431
ALA A 455
LYS A 457
GLU A 474
LEU A 504
GLY A 508
LEU A 556
AGS  A 999 ( 4.4A)
AGS  A 999 (-3.6A)
AGS  A 999 (-2.5A)
AGS  A 999 (-3.6A)
AGS  A 999 (-4.4A)
None
AGS  A 999 (-4.5A)
0.89A34.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens)
7 / 12ALA A 247
LEU A 303
MET A 304
GLY A 307
LEU A 354
THR A 367
ASP A 368
None
0.75A21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens)
7 / 12LEU A 226
ALA A 247
LEU A 303
MET A 304
LEU A 354
THR A 367
ASP A 368
None
0.71A21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3
(Homo
sapiens)
7 / 12LEU A 696
LYS A 723
LEU A 766
THR A 768
GLY A 774
LEU A 822
ASP A 833
ANP  A   1 (-4.4A)
ANP  A   1 (-3.4A)
None
ANP  A   1 ( 4.8A)
ANP  A   1 ( 4.9A)
ANP  A   1 (-4.7A)
MG  A1001 ( 3.1A)
0.84A54.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kmu INTEGRIN-LINKED
KINASE
(Homo
sapiens)
7 / 12LEU A 199
LYS A 220
LEU A 267
THR A 269
MET A 272
GLY A 275
ASP A 339
None
0.88A24.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kul EPHRIN TYPE-A
RECEPTOR 8
(Homo
sapiens)
7 / 12ALA A 665
LYS A 667
GLU A 684
THR A 713
MET A 716
GLY A 719
LEU A 767
None
None
None
None
None
GOL  A 403 (-3.4A)
None
0.67A32.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lm5 SERINE/THREONINE-PRO
TEIN KINASE 17B
(Homo
sapiens)
7 / 12LEU A  39
ALA A  60
LYS A  62
LEU A 108
GLY A 116
LEU A 165
ASP A 179
QUE  A   1 ( 3.8A)
QUE  A   1 (-3.2A)
QUE  A   1 (-4.1A)
None
None
None
QUE  A   1 (-2.9A)
0.93A24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
7 / 12ALA A 719
LEU A 764
THR A 766
LEU A 768
GLY A 772
LEU A 820
THR A 830
ITI  A   1 (-2.9A)
ITI  A   1 ( 4.2A)
ITI  A   1 (-3.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-3.5A)
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
1.00A86.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
7 / 12ALA A 719
THR A 766
LEU A 768
GLY A 772
LEU A 820
THR A 830
ASP A 831
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-3.5A)
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
0.83A86.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
7 / 12LEU A 694
ALA A 719
THR A 766
LEU A 768
GLY A 772
THR A 830
ASP A 831
ITI  A   1 (-3.9A)
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-3.5A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
0.96A86.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3mdy BONE MORPHOGENETIC
PROTEIN RECEPTOR
TYPE-1B
(Homo
sapiens)
7 / 12ALA A 229
LYS A 231
GLU A 244
LEU A 277
THR A 279
GLY A 285
LEU A 339
LDN  A   1 (-3.6A)
None
None
None
LDN  A   1 (-3.8A)
LDN  A   1 (-3.3A)
LDN  A   1 (-4.5A)
0.66A25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3my0 SERINE/THREONINE-PRO
TEIN KINASE RECEPTOR
R3
(Homo
sapiens)
7 / 12ALA A 227
LYS A 229
GLU A 242
LEU A 275
THR A 277
GLY A 283
LEU A 337
LDN  A 600 (-3.2A)
LDN  A 600 (-4.0A)
None
None
LDN  A 600 (-4.0A)
LDN  A 600 (-3.3A)
LDN  A 600 (-4.6A)
0.81A26.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6
(Homo
sapiens)
9 / 12LEU A 192
ALA A 213
LYS A 215
GLU A 234
LEU A 261
LEU A 265
MET A 266
GLY A 269
LEU A 318
AMP  A 577 ( 4.3A)
AMP  A 577 (-3.4A)
AMP  A 577 (-2.8A)
None
None
AMP  A 577 ( 4.9A)
None
None
AMP  A 577 (-4.8A)
0.54A19.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2
(Homo
sapiens)
7 / 12ALA A 751
LEU A 796
THR A 798
LEU A 800
MET A 801
THR A 862
ASP A 863
03Q  A   1 (-3.1A)
03Q  A   1 (-4.3A)
03Q  A   1 (-4.1A)
03Q  A   1 (-4.6A)
None
03Q  A   1 (-3.3A)
03Q  A   1 (-4.0A)
0.83A78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2
(Homo
sapiens)
10 / 12LEU A 726
ALA A 751
LYS A 753
LEU A 796
THR A 798
LEU A 800
MET A 801
GLY A 804
LEU A 852
THR A 862
03Q  A   1 (-3.8A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.3A)
03Q  A   1 (-4.1A)
03Q  A   1 (-4.6A)
None
03Q  A   1 ( 3.9A)
03Q  A   1 (-4.4A)
03Q  A   1 (-3.3A)
0.69A78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1
(Homo
sapiens)
7 / 12LEU A  75
ALA A  96
LYS A  98
MET A 147
GLY A 150
LEU A 198
ASP A 209
ANP  A 401 (-3.8A)
ANP  A 401 (-3.2A)
ANP  A 401 (-2.7A)
None
ANP  A 401 ( 4.3A)
ANP  A 401 (-4.8A)
MG  A 402 (-3.2A)
0.88A26.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS
(Homo
sapiens)
7 / 12LEU A1951
ALA A1978
LYS A1980
LEU A2028
MET A2029
GLY A2032
LEU A2086
VGH  A3000 ( 4.4A)
VGH  A3000 (-3.4A)
VGH  A3000 ( 4.7A)
VGH  A3000 ( 4.8A)
None
VGH  A3000 (-3.5A)
VGH  A3000 (-4.3A)
0.35A34.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3zfx EPHRIN TYPE-B
RECEPTOR 1
(Homo
sapiens)
8 / 12ALA A 649
LYS A 651
GLU A 668
THR A 697
MET A 700
GLY A 703
LEU A 751
ASP A 762
None
0.72A36.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4aw5 EPHRIN TYPE-B
RECEPTOR 4
(Homo
sapiens)
8 / 12ALA A 121
LYS A 123
GLU A 140
THR A 169
MET A 172
GLY A 175
LEU A 223
ASP A 234
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
None
30K  A1365 (-3.8A)
None
30K  A1365 (-3.5A)
30K  A1365 (-4.5A)
30K  A1365 (-3.3A)
0.74A33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4c02 ACTIVIN RECEPTOR
TYPE-1
(Homo
sapiens)
7 / 12ALA A 233
GLU A 248
LEU A 281
THR A 283
GLY A 289
LEU A 343
ASP A 354
TAK  A1507 (-3.3A)
None
None
TAK  A1507 (-3.6A)
TAK  A1507 (-3.5A)
TAK  A1507 (-4.7A)
TAK  A1507 (-3.5A)
0.78A24.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4c02 ACTIVIN RECEPTOR
TYPE-1
(Homo
sapiens)
7 / 12ALA A 233
LYS A 235
LEU A 281
THR A 283
GLY A 289
LEU A 343
ASP A 354
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
None
TAK  A1507 (-3.6A)
TAK  A1507 (-3.5A)
TAK  A1507 (-4.7A)
TAK  A1507 (-3.5A)
0.68A24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1
(Homo
sapiens)
7 / 12LEU A 616
ALA A 653
LYS A 655
GLU A 672
THR A 701
MET A 704
LEU A 773
None
DI1  A1000 (-3.6A)
DI1  A1000 (-3.9A)
DI1  A1000 (-3.8A)
DI1  A1000 (-3.6A)
None
DI1  A1000 (-4.5A)
0.83A33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4f4p TYROSINE-PROTEIN
KINASE SYK
(Homo
sapiens)
8 / 12LEU A 377
ALA A 400
LYS A 402
GLU A 420
LEU A 446
GLY A 454
LEU A 501
ASP A 512
0SB  A 701 ( 3.9A)
0SB  A 701 (-3.3A)
0SB  A 701 ( 4.8A)
None
None
0SB  A 701 (-3.5A)
0SB  A 701 (-4.4A)
0SB  A 701 (-3.9A)
0.68A39.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4fl3 TYROSINE-PROTEIN
KINASE SYK
(Homo
sapiens)
7 / 12LEU A 377
ALA A 400
LYS A 402
LEU A 446
GLY A 454
LEU A 501
ASP A 512
ANP  A 701 ( 4.6A)
ANP  A 701 (-3.3A)
ANP  A 701 (-2.7A)
None
ANP  A 701 ( 4.2A)
ANP  A 701 (-4.5A)
MG  A 702 ( 3.1A)
0.87A20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4fod ALK TYROSINE KINASE
RECEPTOR
(Homo
sapiens)
7 / 12LEU A1122
ALA A1148
GLU A1167
LEU A1198
MET A1199
GLY A1202
LEU A1256
0UV  A1501 (-3.8A)
0UV  A1501 (-3.4A)
None
0UV  A1501 ( 4.8A)
None
0UV  A1501 (-3.6A)
0UV  A1501 (-4.6A)
0.44A31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4fod ALK TYROSINE KINASE
RECEPTOR
(Homo
sapiens)
7 / 12LEU A1122
ALA A1148
LYS A1150
GLU A1167
LEU A1198
GLY A1202
LEU A1256
0UV  A1501 (-3.8A)
0UV  A1501 (-3.4A)
0UV  A1501 (-3.7A)
None
0UV  A1501 ( 4.8A)
0UV  A1501 (-3.6A)
0UV  A1501 (-4.6A)
0.83A31.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4hvi TYROSINE-PROTEIN
KINASE JAK3
(Homo
sapiens)
7 / 12LEU A 828
ALA A 853
LYS A 855
GLU A 871
LEU A 900
GLY A 908
LEU A 956
19S  A1201 (-3.9A)
19S  A1201 (-3.3A)
19S  A1201 (-3.5A)
None
None
19S  A1201 ( 3.8A)
19S  A1201 (-4.5A)
0.88A34.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4hzs ACTIVATED CDC42
KINASE 1
(Homo
sapiens)
8 / 12LEU A 132
ALA A 156
LYS A 158
THR A 205
LEU A 207
GLY A 211
LEU A 259
ASP A 270
None
0.72A35.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4id7 ACTIVATED CDC42
KINASE 1
(Homo
sapiens)
7 / 12LEU A 132
ALA A 156
GLU A 177
THR A 205
LEU A 207
GLY A 211
LEU A 259
1G0  A 401 ( 4.5A)
1G0  A 401 (-3.6A)
1G0  A 401 ( 4.5A)
1G0  A 401 (-3.2A)
1G0  A 401 ( 4.9A)
1G0  A 401 ( 4.5A)
1G0  A 401 (-4.6A)
0.96A35.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4id7 ACTIVATED CDC42
KINASE 1
(Homo
sapiens)
7 / 12LEU A 132
ALA A 156
LYS A 158
THR A 205
LEU A 207
GLY A 211
LEU A 259
1G0  A 401 ( 4.5A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-3.2A)
1G0  A 401 ( 4.9A)
1G0  A 401 ( 4.5A)
1G0  A 401 (-4.6A)
0.53A35.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)
7 / 12LEU A 273
ALA A 293
LYS A 295
MET A 341
GLY A 344
LEU A 393
ASP A 404
0J9  A 601 (-4.0A)
0J9  A 601 (-3.3A)
0J9  A 601 ( 4.7A)
None
0J9  A 601 ( 4.1A)
0J9  A 601 (-4.5A)
0J9  A 601 (-3.1A)
0.77A25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens)
9 / 12LEU A  46
ALA A  67
LYS A  69
GLU A  85
LEU A 121
THR A 123
LEU A 125
GLY A 128
LEU A 180
SIN  A 401 ( 3.9A)
SIN  A 401 ( 3.7A)
None
None
None
None
SIN  A 401 ( 4.8A)
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
0.63A22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)
7 / 12LEU A 903
ALA A 928
LYS A 930
GLU A 947
LEU A 976
GLY A 984
LEU A1030
2TT  A1202 (-3.5A)
2TT  A1202 ( 3.9A)
None
None
None
2TT  A1202 (-3.4A)
2TT  A1202 (-4.4A)
0.99A20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5
(Homo
sapiens)
8 / 12LEU A 192
ALA A 213
LYS A 215
GLU A 234
LEU A 261
MET A 266
LEU A 318
ASP A 329
SGV  A 601 (-4.1A)
SGV  A 601 (-3.3A)
SGV  A 601 ( 4.2A)
None
None
None
SGV  A 601 (-4.9A)
SGV  A 601 (-3.0A)
0.71A21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5
(Homo
sapiens)
7 / 12LEU A 192
LYS A 215
GLU A 234
MET A 266
GLY A 269
LEU A 318
ASP A 329
SGV  A 601 (-4.1A)
SGV  A 601 ( 4.2A)
None
None
None
SGV  A 601 (-4.9A)
SGV  A 601 (-3.0A)
0.98A21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4xey TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
7 / 12LEU B 267
ALA B 288
LYS B 290
THR B 334
MET B 337
GLY B 340
LEU B 389
1N1  B 601 (-3.7A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-3.3A)
None
1N1  B 601 (-3.5A)
1N1  B 601 (-4.3A)
0.42A28.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3
(Homo
sapiens)
7 / 12LEU A 616
ALA A 642
LYS A 644
GLU A 661
LEU A 689
GLY A 697
LEU A 818
P30  A1001 (-4.0A)
P30  A1001 (-3.5A)
P30  A1001 ( 4.0A)
P30  A1001 (-3.1A)
None
P30  A1001 (-3.5A)
P30  A1001 (-4.3A)
0.70A32.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4
(Homo
sapiens)
7 / 12LEU A 193
ALA A 214
LYS A 216
GLU A 235
LEU A 262
MET A 267
LEU A 319
AN2  A 601 ( 4.2A)
AN2  A 601 (-3.6A)
AN2  A 601 ( 3.9A)
None
None
None
None
0.62A22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Homo
sapiens)
7 / 12LEU A 577
ALA A 597
LYS A 599
GLU A 612
LEU A 644
LEU A 695
ASP A 711
None
0.94A25.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B
(Homo
sapiens)
7 / 12LEU A 484
ALA A 512
LYS A 514
GLU A 531
GLY A 567
LEU A 630
ASP A 641
38O  A1769 (-3.2A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.1A)
EDO  A1766 (-4.1A)
38O  A1769 (-3.4A)
38O  A1769 (-4.6A)
38O  A1769 (-4.0A)
0.61A33.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5ci7 SERINE/THREONINE-PRO
TEIN KINASE ULK1
(Homo
sapiens)
7 / 12ALA A  44
LYS A  46
GLU A  63
LEU A  90
GLY A  98
LEU A 145
ASP A 165
51W  A 401 (-3.4A)
GOL  A 404 ( 3.1A)
None
None
51W  A 401 (-3.7A)
51W  A 401 (-4.5A)
GOL  A 404 (-3.2A)
0.81A27.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5e8y TGF-BETA RECEPTOR
TYPE-2
(Homo
sapiens)
7 / 12ALA A 275
LYS A 277
GLU A 290
LEU A 323
THR A 325
GLY A 331
LEU A 386
STU  A 601 (-3.1A)
STU  A 601 (-2.4A)
STU  A 601 ( 3.8A)
None
STU  A 601 ( 3.7A)
STU  A 601 (-3.5A)
STU  A 601 (-3.9A)
0.49A25.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)
7 / 12LEU A 903
ALA A 928
LYS A 930
GLU A 947
LEU A 976
GLY A 984
LEU A1030
5U3  A1200 (-3.8A)
5U3  A1200 (-3.5A)
None
None
None
5U3  A1200 (-3.2A)
5U3  A1200 (-4.4A)
0.81A31.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA
(Homo
sapiens)
7 / 12LEU A 599
ALA A 625
LYS A 627
GLU A 644
THR A 674
GLY A 680
LEU A 825
748  A1001 (-3.8A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.3A)
748  A1001 (-3.2A)
748  A1001 ( 4.0A)
748  A1001 (-4.3A)
0.63A31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
11 / 12LEU A 718
ALA A 743
LYS A 745
GLU A 762
LEU A 788
LEU A 792
MET A 793
GLY A 796
LEU A 844
THR A 854
ASP A 855
6HJ  A1101 ( 4.6A)
6HJ  A1101 (-3.1A)
6HJ  A1101 (-4.2A)
6HJ  A1101 ( 4.2A)
6HJ  A1101 ( 4.6A)
6HJ  A1101 ( 4.9A)
None
6HJ  A1101 ( 4.5A)
6HJ  A1101 ( 4.8A)
6HJ  A1101 (-3.9A)
6HJ  A1101 (-4.3A)
0.38A97.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5jzn SERINE/THREONINE-PRO
TEIN KINASE DCLK1
(Homo
sapiens)
7 / 12ALA A 417
LYS A 419
GLU A 436
LEU A 463
LEU A 467
GLY A 471
LEU A 518
GUI  A 701 ( 3.9A)
GUI  A 701 (-3.1A)
None
None
GUI  A 701 ( 4.7A)
GUI  A 701 (-3.6A)
GUI  A 701 (-4.4A)
0.76A26.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE
(Homo
sapiens)
7 / 12LEU A 116
ALA A 137
GLU A 157
LEU A 185
THR A 187
LEU A 189
ASP A 251
H8H  A 401 (-3.7A)
H8H  A 401 (-3.3A)
None
H8H  A 401 (-4.3A)
H8H  A 401 (-3.5A)
None
EDO  A 402 ( 2.9A)
0.75A22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5vcx MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE
(Homo
sapiens)
7 / 12LEU A 116
ALA A 137
LYS A 139
GLU A 157
LEU A 185
THR A 187
LEU A 189
H8H  A 401 (-3.7A)
H8H  A 401 (-3.3A)
H8H  A 401 (-4.9A)
None
H8H  A 401 (-4.3A)
H8H  A 401 (-3.5A)
None
0.89A22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6bfn INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 1
(Homo
sapiens)
7 / 12ALA A 237
LYS A 239
GLU A 259
LEU A 286
GLY A 294
LEU A 347
ASP A 358
DL1  A 601 (-3.4A)
DL1  A 601 ( 4.1A)
None
None
DL1  A 601 (-3.5A)
DL1  A 601 (-3.9A)
DL1  A 601 (-3.1A)
0.84A14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6c7y TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens)
7 / 12LEU A 881
ALA A 906
LYS A 908
GLU A 925
LEU A 954
GLY A 962
LEU A1010
ADP  A1201 ( 4.5A)
ADP  A1201 (-3.4A)
ADP  A1201 (-2.8A)
None
None
ADP  A1201 ( 4.1A)
ADP  A1201 (-4.5A)
0.73A14.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6cz4 PROTEIN-TYROSINE
KINASE 6
(Homo
sapiens)
8 / 12LEU A 197
ALA A 217
LYS A 219
THR A 264
LEU A 266
MET A 267
GLY A 270
LEU A 319
FKY  A9001 (-4.1A)
FKY  A9001 (-3.3A)
None
FKY  A9001 (-3.0A)
FKY  A9001 (-4.4A)
None
FKY  A9001 (-3.3A)
FKY  A9001 ( 4.9A)
0.99A17.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12ALA A 428
LYS A 430
THR A 474
MET A 477
GLY A 480
LEU A 528
ASP A 539
None
0.96A32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12ALA A 428
THR A 474
MET A 477
GLY A 480
CYH A 481
LEU A 528
ASP A 539
None
0.68A32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12LEU A 408
VAL A 416
LYS A 430
MET A 477
GLY A 480
LEU A 528
ASP A 539
None
1.10A32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12LEU A 408
VAL A 416
MET A 477
GLY A 480
CYH A 481
LEU A 528
ASP A 539
None
0.97A32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12VAL A 416
ALA A 428
LYS A 430
MET A 477
GLY A 480
LEU A 528
ASP A 539
None
0.99A32.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1k2p TYROSINE-PROTEIN
KINASE BTK
(Homo
sapiens)
7 / 12VAL A 416
ALA A 428
MET A 477
GLY A 480
CYH A 481
LEU A 528
ASP A 539
None
0.87A32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1s9i DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 2
(Homo
sapiens)
8 / 12LEU A  78
VAL A  86
ALA A  99
LYS A 101
MET A 150
GLY A 153
LEU A 201
ASP A 212
ATP  A 535 (-3.9A)
ATP  A 535 (-4.1A)
ATP  A 535 (-3.6A)
ATP  A 535 ( 2.5A)
None
ATP  A 535 ( 4.7A)
ATP  A 535 (-4.8A)
MG  A 536 (-3.3A)
0.52A26.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1snx TYROSINE-PROTEIN
KINASE ITK/TSK
(Homo
sapiens)
7 / 12VAL A 377
ALA A 389
LYS A 391
GLY A 441
CYH A 442
LEU A 489
ASP A 500
None
0.81A31.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1snx TYROSINE-PROTEIN
KINASE ITK/TSK
(Homo
sapiens)
7 / 12VAL A 377
ALA A 389
LYS A 391
MET A 438
GLY A 441
CYH A 442
LEU A 489
None
0.71A31.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG
(Homo
sapiens)
7 / 12LEU A 595
VAL A 603
ALA A 621
LYS A 623
THR A 670
GLY A 676
LEU A 799
STI  A   3 ( 3.8A)
STI  A   3 ( 4.6A)
STI  A   3 (-3.5A)
STI  A   3 (-3.7A)
STI  A   3 (-3.2A)
STI  A   3 ( 3.8A)
STI  A   3 (-4.4A)
0.68A31.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1
(Homo
sapiens)
7 / 12LEU A  15
VAL A  23
ALA A  36
LYS A  38
GLY A  90
LEU A 137
ASP A 148
HYM  A 400 (-4.2A)
HYM  A 400 (-4.3A)
HYM  A 400 (-3.5A)
HYM  A 400 (-3.2A)
None
HYM  A 400 (-4.5A)
HYM  A 400 (-3.9A)
0.91A24.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
7 / 12LEU X  17
VAL X  25
ALA X  37
LYS X  39
MET X  85
LEU X 137
ASP X 148
STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
None
STU  X 902 (-4.4A)
STU  X 902 (-3.6A)
0.96A32.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
7 / 12LEU X  17
VAL X  25
ALA X  37
LYS X  39
THR X  82
MET X  85
LEU X 137
STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-3.1A)
STU  X 902 (-4.1A)
None
STU  X 902 (-4.4A)
0.77A32.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
7 / 12LEU X  17
VAL X  25
ALA X  37
MET X  85
GLY X  88
LEU X 137
ASP X 148
STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
None
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
STU  X 902 (-3.6A)
0.65A32.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)
7 / 12LEU X  17
VAL X  25
ALA X  37
THR X  82
MET X  85
GLY X  88
LEU X 137
STU  X 902 (-3.8A)
STU  X 902 ( 4.8A)
STU  X 902 (-3.1A)
STU  X 902 (-4.1A)
None
STU  X 902 (-3.5A)
STU  X 902 (-4.4A)
0.53A32.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)
9 / 12LEU A 273
VAL A 281
ALA A 293
LYS A 295
THR A 338
MET A 341
GLY A 344
LEU A 393
ASP A 404
H8H  A 534 (-3.8A)
H8H  A 534 (-4.4A)
H8H  A 534 (-3.2A)
H8H  A 534 (-3.7A)
H8H  A 534 (-3.1A)
None
H8H  A 534 (-3.3A)
H8H  A 534 (-4.5A)
H8H  A 534 (-4.2A)
0.47A22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hck HEMATOPOETIC CELL
KINASE HCK
(Homo
sapiens)
9 / 12LEU A 273
VAL A 281
ALA A 293
LYS A 295
THR A 338
MET A 341
GLY A 344
LEU A 393
ASP A 404
QUE  A   1 (-3.9A)
QUE  A   1 ( 4.8A)
QUE  A   1 (-3.5A)
None
QUE  A   1 (-3.3A)
None
QUE  A   1 (-3.0A)
QUE  A   1 (-4.4A)
None
0.60A26.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hk5 TYROSINE-PROTEIN
KINASE HCK
(Homo
sapiens)
7 / 12LEU A 251
VAL A 259
ALA A 271
THR A 316
MET A 319
GLY A 322
LEU A 371
1BM  A 499 ( 3.7A)
1BM  A 499 ( 4.8A)
1BM  A 499 (-3.6A)
1BM  A 499 (-3.2A)
None
1BM  A 499 (-3.5A)
1BM  A 499 (-4.4A)
0.35A33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
8 / 12LEU A 248
VAL A 256
ALA A 269
LYS A 271
THR A 315
MET A 318
GLY A 321
LEU A 370
GIN  A 600 ( 4.6A)
GIN  A 600 ( 4.7A)
GIN  A 600 (-3.1A)
GIN  A 600 (-3.6A)
GIN  A 600 (-3.4A)
None
None
GIN  A 600 (-4.7A)
0.69A35.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK
(Homo
sapiens)
7 / 12LEU A 251
ALA A 271
LYS A 273
THR A 316
MET A 319
GLY A 322
LEU A 371
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 4.4A)
1N8  A 501 ( 3.5A)
1N8  A 501 ( 4.3A)
0.78A33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK
(Homo
sapiens)
7 / 12LEU A 251
VAL A 259
ALA A 271
LYS A 273
THR A 316
MET A 319
GLY A 322
None
None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.4A)
1N8  A 501 ( 3.3A)
1N8  A 501 ( 4.4A)
1N8  A 501 ( 3.5A)
0.80A33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)
7 / 12LEU A 344
VAL A 352
ALA A 367
LYS A 369
GLY A 418
LEU A 468
ASP A 479
ANP  A 615 (-4.4A)
ANP  A 615 (-4.5A)
ANP  A 615 (-3.3A)
ANP  A 615 (-3.1A)
ANP  A 615 ( 4.0A)
ANP  A 615 (-4.7A)
MG  A 614 ( 3.2A)
1.13A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)
7 / 12LEU A 344
VAL A 352
ALA A 367
LYS A 369
GLY A 420
LEU A 468
ASP A 479
ANP  A 615 (-4.4A)
ANP  A 615 (-4.5A)
ANP  A 615 (-3.3A)
ANP  A 615 (-3.1A)
ANP  A 615 ( 3.9A)
ANP  A 615 (-4.7A)
MG  A 614 ( 3.2A)
0.87A20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2qlu ACTIVIN RECEPTOR
TYPE IIB
(Homo
sapiens)
7 / 12VAL A 204
ALA A 215
LYS A 217
THR A 265
GLY A 271
LEU A 328
ASP A 339
ADE  A 488 ( 4.9A)
ADE  A 488 (-3.2A)
None
ADE  A 488 (-4.3A)
ADE  A 488 ( 4.1A)
ADE  A 488 (-4.4A)
None
0.65A26.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2qob EPHRIN RECEPTOR
(Homo
sapiens)
6 / 12VAL A 635
ALA A 651
THR A 699
MET A 702
GLY A 705
LEU A 753
BME  A   1 (-4.9A)
PTR  A 701 ( 4.7A)
None
PTR  A 701 ( 3.5A)
None
None
0.44A33.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2r2p EPHRIN TYPE-A
RECEPTOR 5
(Homo
sapiens)
6 / 12VAL A 689
ALA A 705
THR A 753
MET A 756
GLY A 759
LEU A 807
None
0.45A33.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
10 / 12LEU A 724
VAL A 732
ALA A 749
LYS A 751
THR A 796
MET A 799
GLY A 802
LEU A 850
THR A 860
ASP A 861
GW7  A   1 ( 4.2A)
GW7  A   1 ( 4.8A)
GW7  A   1 (-3.3A)
GW7  A   1 (-3.9A)
GW7  A   1 (-4.0A)
None
GW7  A   1 (-3.6A)
GW7  A   1 (-4.2A)
GW7  A   1 (-3.5A)
GW7  A   1 (-4.1A)
0.49A76.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2r4b RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4
(Homo
sapiens)
7 / 12LYS A 751
MET A 799
GLY A 802
CYH A 803
LEU A 850
THR A 860
ASP A 861
GW7  A   1 (-3.9A)
None
GW7  A   1 (-3.6A)
GW7  A   1 (-2.3A)
GW7  A   1 (-4.2A)
GW7  A   1 (-3.5A)
GW7  A   1 (-4.1A)
0.84A76.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2xk9 CHECKPOINT KINASE 2
(Homo
sapiens)
8 / 12LEU A 226
VAL A 234
ALA A 247
LYS A 249
MET A 304
GLY A 307
LEU A 354
THR A 367
XK9  A1511 (-3.8A)
XK9  A1511 (-4.8A)
XK9  A1511 ( 4.1A)
XK9  A1511 (-4.2A)
None
XK9  A1511 ( 3.7A)
XK9  A1511 (-4.6A)
XK9  A1511 (-3.7A)
0.81A26.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1
(Homo
sapiens)
7 / 12LEU A  68
VAL A  76
ALA A  92
LYS A  94
GLY A 147
LEU A 194
THR A 204
STU  A   1 (-3.8A)
None
STU  A   1 (-3.3A)
STU  A   1 (-2.8A)
STU  A   1 ( 3.9A)
STU  A   1 (-4.6A)
STU  A   1 (-3.6A)
0.77A26.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
2z7r RIBOSOMAL PROTEIN S6
KINASE ALPHA-1
(Homo
sapiens)
7 / 12LEU A  68
VAL A  76
ALA A  92
LYS A  94
GLY A 147
THR A 204
ASP A 205
STU  A   1 (-3.8A)
None
STU  A   1 (-3.3A)
STU  A   1 (-2.8A)
STU  A   1 ( 3.9A)
STU  A   1 (-3.6A)
STU  A   1 ( 3.8A)
0.93A26.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3d7u TYROSINE-PROTEIN
KINASE CSK
(Homo
sapiens)
7 / 12ALA A 220
LYS A 222
THR A 266
MET A 269
GLY A 272
LEU A 321
ASP A 332
None
0.92A34.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3d7u TYROSINE-PROTEIN
KINASE CSK
(Homo
sapiens)
7 / 12VAL A 209
ALA A 220
THR A 266
MET A 269
GLY A 272
LEU A 321
ASP A 332
None
0.66A34.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3fzp PROTEIN TYROSINE
KINASE 2 BETA
(Homo
sapiens)
7 / 12LEU A 431
VAL A 439
ALA A 455
LYS A 457
GLY A 508
LEU A 556
ASP A 567
AGS  A 999 ( 4.4A)
AGS  A 999 (-4.6A)
AGS  A 999 (-3.6A)
AGS  A 999 (-2.5A)
None
AGS  A 999 (-4.5A)
AGS  A 999 ( 3.9A)
0.87A34.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2
(Homo
sapiens)
7 / 12LEU A 226
VAL A 234
ALA A 247
MET A 304
LEU A 354
THR A 367
ASP A 368
None
0.80A21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kex RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3
(Homo
sapiens)
7 / 12LEU A 696
VAL A 704
LYS A 723
THR A 768
GLY A 774
LEU A 822
ASP A 833
ANP  A   1 (-4.4A)
ANP  A   1 (-3.9A)
ANP  A   1 (-3.4A)
ANP  A   1 ( 4.8A)
ANP  A   1 ( 4.9A)
ANP  A   1 (-4.7A)
MG  A1001 ( 3.1A)
0.53A53.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kul EPHRIN TYPE-A
RECEPTOR 8
(Homo
sapiens)
7 / 12ALA A 665
LYS A 667
THR A 713
MET A 716
GLY A 719
LEU A 767
ASP A 778
None
None
None
None
GOL  A 403 (-3.4A)
None
None
0.96A33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3kul EPHRIN TYPE-A
RECEPTOR 8
(Homo
sapiens)
7 / 12VAL A 649
ALA A 665
THR A 713
MET A 716
GLY A 719
LEU A 767
ASP A 778
None
None
None
None
GOL  A 403 (-3.4A)
None
None
0.62A33.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
8 / 12ALA A 719
THR A 766
MET A 769
GLY A 772
CYH A 773
LEU A 820
THR A 830
ASP A 831
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-3.5A)
ITI  A   1 (-4.8A)
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
0.95A88.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3lzb EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
8 / 12VAL A 702
ALA A 719
THR A 766
MET A 769
CYH A 773
LEU A 820
THR A 830
ASP A 831
ITI  A   1 (-4.8A)
ITI  A   1 (-2.9A)
ITI  A   1 (-3.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-4.8A)
ITI  A   1 (-4.6A)
ITI  A   1 (-3.8A)
ITI  A   1 ( 4.6A)
1.03A88.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3nuu PKB-LIKE
(Homo
sapiens)
7 / 12LEU A  88
VAL A  96
ALA A 109
LYS A 111
GLY A 165
LEU A 212
THR A 222
JOZ  A 361 (-4.1A)
JOZ  A 361 ( 4.7A)
JOZ  A 361 (-3.4A)
SO4  A   5 (-2.8A)
None
None
JOZ  A 361 (-3.7A)
0.83A27.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6
(Homo
sapiens)
6 / 12LEU A 192
VAL A 200
ALA A 213
MET A 266
GLY A 269
LEU A 318
AMP  A 577 ( 4.3A)
AMP  A 577 (-4.3A)
AMP  A 577 (-3.4A)
None
None
AMP  A 577 (-4.8A)
0.49A19.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2
(Homo
sapiens)
10 / 12LEU A 726
VAL A 734
ALA A 751
LYS A 753
THR A 798
MET A 801
GLY A 804
LEU A 852
THR A 862
ASP A 863
03Q  A   1 (-3.8A)
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.7A)
03Q  A   1 (-4.1A)
None
03Q  A   1 ( 3.9A)
03Q  A   1 (-4.4A)
03Q  A   1 (-3.3A)
03Q  A   1 (-4.0A)
0.75A76.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3pp0 RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2
(Homo
sapiens)
10 / 12LEU A 726
VAL A 734
ALA A 751
THR A 798
MET A 801
GLY A 804
CYH A 805
LEU A 852
THR A 862
ASP A 863
03Q  A   1 (-3.8A)
03Q  A   1 (-4.5A)
03Q  A   1 (-3.1A)
03Q  A   1 (-4.1A)
None
03Q  A   1 ( 3.9A)
None
03Q  A   1 (-4.4A)
03Q  A   1 (-3.3A)
03Q  A   1 (-4.0A)
0.62A76.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3q4t ACTIVIN RECEPTOR
TYPE-2A
(Homo
sapiens)
6 / 12VAL A 206
ALA A 217
THR A 267
GLY A 273
LEU A 329
ASP A 340
TAK  A   2 ( 4.9A)
TAK  A   2 (-3.5A)
TAK  A   2 (-3.5A)
TAK  A   2 (-3.6A)
TAK  A   2 (-4.6A)
None
0.57A25.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)
7 / 12LEU A  50
VAL A  58
ALA A  71
LYS A  73
MET A 121
LEU A 173
THR A 186
I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-3.3A)
I85  A 350 (-2.8A)
None
None
I85  A 350 ( 4.0A)
0.98A23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3
(Homo
sapiens)
7 / 12LEU A  50
VAL A  58
LYS A  73
MET A 121
LEU A 173
THR A 186
ASP A 187
I85  A 350 (-3.7A)
I85  A 350 (-4.9A)
I85  A 350 (-2.8A)
None
None
I85  A 350 ( 4.0A)
I85  A 350 (-3.3A)
1.08A23.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3sxs CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX
(Homo
sapiens)
8 / 12LEU A 423
VAL A 431
ALA A 443
LYS A 445
THR A 489
GLY A 495
CYH A 496
LEU A 543
PP2  A   1 (-4.1A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.2A)
PP2  A   1 (-4.5A)
PP2  A   1 (-3.3A)
PP2  A   1 ( 4.2A)
None
PP2  A   1 (-4.6A)
0.54A30.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3v5q NT-3 GROWTH FACTOR
RECEPTOR
(Homo
sapiens)
6 / 12LEU A 544
VAL A 552
ALA A 570
MET A 620
GLY A 623
LEU A 686
0F4  A 902 ( 4.2A)
None
0F4  A 902 (-3.2A)
None
0F4  A 902 (-3.4A)
0F4  A 902 (-4.5A)
0.46A29.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1
(Homo
sapiens)
8 / 12LEU A  75
VAL A  83
ALA A  96
LYS A  98
MET A 147
GLY A 150
LEU A 198
ASP A 209
ANP  A 401 (-3.8A)
ANP  A 401 ( 4.3A)
ANP  A 401 (-3.2A)
ANP  A 401 (-2.7A)
None
ANP  A 401 ( 4.3A)
ANP  A 401 (-4.8A)
MG  A 402 (-3.2A)
0.61A26.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS
(Homo
sapiens)
6 / 12LEU A1951
VAL A1959
ALA A1978
MET A2029
GLY A2032
LEU A2086
VGH  A3000 ( 4.4A)
None
VGH  A3000 (-3.4A)
None
VGH  A3000 (-3.5A)
VGH  A3000 (-4.3A)
0.51A35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3zfx EPHRIN TYPE-B
RECEPTOR 1
(Homo
sapiens)
7 / 12ALA A 649
LYS A 651
THR A 697
MET A 700
GLY A 703
LEU A 751
ASP A 762
None
0.87A36.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
3zfx EPHRIN TYPE-B
RECEPTOR 1
(Homo
sapiens)
7 / 12VAL A 633
ALA A 649
LYS A 651
THR A 697
MET A 700
GLY A 703
LEU A 751
None
0.73A36.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4af3 AURORA KINASE B
(Homo
sapiens)
6 / 12LEU A  83
VAL A  91
ALA A 104
LYS A 106
GLY A 160
LEU A 207
VX6  A 500 (-3.8A)
VX6  A 500 ( 4.8A)
VX6  A 500 (-3.4A)
VX6  A 500 (-3.3A)
VX6  A 500 (-3.3A)
VX6  A 500 (-4.6A)
0.48A25.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR
(Homo
sapiens)
6 / 12LEU A 560
VAL A 568
ALA A 586
MET A 636
GLY A 639
LEU A 699
LTI  A1839 ( 4.2A)
None
LTI  A1839 (-3.3A)
None
LTI  A1839 (-3.4A)
LTI  A1839 (-4.2A)
0.53A30.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4aw5 EPHRIN TYPE-B
RECEPTOR 4
(Homo
sapiens)
7 / 12VAL A 105
ALA A 121
LYS A 123
THR A 169
MET A 172
GLY A 175
LEU A 223
30K  A1365 ( 4.6A)
30K  A1365 (-3.2A)
30K  A1365 (-3.8A)
30K  A1365 (-3.8A)
None
30K  A1365 (-3.5A)
30K  A1365 (-4.5A)
0.54A32.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4c02 ACTIVIN RECEPTOR
TYPE-1
(Homo
sapiens)
7 / 12VAL A 222
ALA A 233
LYS A 235
THR A 283
GLY A 289
LEU A 343
ASP A 354
TAK  A1507 (-4.7A)
TAK  A1507 (-3.3A)
TAK  A1507 ( 4.5A)
TAK  A1507 (-3.6A)
TAK  A1507 (-3.5A)
TAK  A1507 (-4.7A)
TAK  A1507 (-3.5A)
0.69A24.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4f0i HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR
(Homo
sapiens)
6 / 12LEU A 515
VAL A 523
ALA A 541
MET A 591
GLY A 594
LEU A 656
None
0.43A31.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4fl3 TYROSINE-PROTEIN
KINASE SYK
(Homo
sapiens)
7 / 12LEU A 377
VAL A 385
ALA A 400
LYS A 402
GLY A 454
LEU A 501
ASP A 512
ANP  A 701 ( 4.6A)
ANP  A 701 (-4.1A)
ANP  A 701 (-3.3A)
ANP  A 701 (-2.7A)
ANP  A 701 ( 4.2A)
ANP  A 701 (-4.5A)
MG  A 702 ( 3.1A)
0.56A21.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4fod ALK TYROSINE KINASE
RECEPTOR
(Homo
sapiens)
6 / 12LEU A1122
VAL A1130
ALA A1148
MET A1199
GLY A1202
LEU A1256
0UV  A1501 (-3.8A)
0UV  A1501 (-4.5A)
0UV  A1501 (-3.4A)
None
0UV  A1501 (-3.6A)
0UV  A1501 (-4.6A)
0.49A31.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4gv1 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)
7 / 12LEU A 156
VAL A 164
ALA A 177
LYS A 179
GLY A 233
THR A 291
ASP A 292
0XZ  A 501 ( 4.1A)
0XZ  A 501 (-4.5A)
0XZ  A 501 (-3.3A)
GOL  A 503 ( 2.8A)
None
0XZ  A 501 ( 4.1A)
0XZ  A 501 ( 3.4A)
0.97A23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4hzs ACTIVATED CDC42
KINASE 1
(Homo
sapiens)
8 / 12LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
LEU A 259
ASP A 270
None
0.70A35.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4id7 ACTIVATED CDC42
KINASE 1
(Homo
sapiens)
7 / 12LEU A 132
VAL A 140
ALA A 156
LYS A 158
THR A 205
GLY A 211
LEU A 259
1G0  A 401 ( 4.5A)
1G0  A 401 (-4.4A)
1G0  A 401 (-3.6A)
1G0  A 401 (-3.7A)
1G0  A 401 (-3.2A)
1G0  A 401 ( 4.5A)
1G0  A 401 (-4.6A)
0.81A35.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)
8 / 12LEU A 273
VAL A 281
ALA A 293
LYS A 295
MET A 341
GLY A 344
LEU A 393
ASP A 404
0J9  A 601 (-4.0A)
0J9  A 601 (-4.4A)
0J9  A 601 (-3.3A)
0J9  A 601 ( 4.7A)
None
0J9  A 601 ( 4.1A)
0J9  A 601 (-4.5A)
0J9  A 601 (-3.1A)
0.55A26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4o38 CYCLIN-G-ASSOCIATED
KINASE
(Homo
sapiens)
7 / 12LEU A  46
VAL A  54
ALA A  67
LYS A  69
THR A 123
GLY A 128
LEU A 180
SIN  A 401 ( 3.9A)
None
SIN  A 401 ( 3.7A)
None
None
SIN  A 401 (-3.5A)
SIN  A 401 ( 4.5A)
0.65A21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2
(Homo
sapiens)
6 / 12LEU A 595
VAL A 603
LYS A 642
THR A 687
GLY A 693
LEU A 741
2TT  A1201 (-4.1A)
2TT  A1201 (-4.2A)
2TT  A1201 ( 4.6A)
None
2TT  A1201 (-3.5A)
2TT  A1201 (-4.1A)
0.52A20.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4p2k EPHRIN TYPE-A
RECEPTOR 2
(Homo
sapiens)
6 / 12VAL A 627
ALA A 644
THR A 692
MET A 695
GLY A 698
LEU A 746
None
0.47A34.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9
(Homo
sapiens)
7 / 12VAL A 158
ALA A 169
LYS A 171
GLY A 226
LEU A 275
THR A 293
ASP A 294
None
1.26A31.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
4xey TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
8 / 12LEU B 267
VAL B 275
ALA B 288
LYS B 290
THR B 334
MET B 337
GLY B 340
LEU B 389
1N1  B 601 (-3.7A)
1N1  B 601 ( 4.9A)
1N1  B 601 (-3.5A)
1N1  B 601 (-4.6A)
1N1  B 601 (-3.3A)
None
1N1  B 601 (-3.5A)
1N1  B 601 (-4.3A)
0.42A28.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5a46 FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B
(Homo
sapiens)
7 / 12LEU A 484
VAL A 492
ALA A 512
LYS A 514
GLY A 567
LEU A 630
ASP A 641
38O  A1769 (-3.2A)
38O  A1769 (-4.5A)
38O  A1769 (-3.6A)
38O  A1769 ( 3.1A)
38O  A1769 (-3.4A)
38O  A1769 (-4.6A)
38O  A1769 (-4.0A)
0.89A32.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA
(Homo
sapiens)
7 / 12LEU A 599
VAL A 607
ALA A 625
LYS A 627
THR A 674
GLY A 680
LEU A 825
748  A1001 (-3.8A)
748  A1001 ( 4.7A)
748  A1001 (-3.7A)
748  A1001 (-4.0A)
748  A1001 (-3.2A)
748  A1001 ( 4.0A)
748  A1001 (-4.3A)
0.64A31.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
8 / 12LEU A 718
ALA A 743
MET A 793
GLY A 796
CYH A 797
LEU A 844
THR A 854
ASP A 855
6HJ  A1101 ( 4.6A)
6HJ  A1101 (-3.1A)
None
6HJ  A1101 ( 4.5A)
6HJ  A1101 (-1.6A)
6HJ  A1101 ( 4.8A)
6HJ  A1101 (-3.9A)
6HJ  A1101 (-4.3A)
0.90A99.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
7 / 12LEU A 718
VAL A 726
ALA A 743
LYS A 745
MET A 793
GLY A 796
LEU A 844
6HJ  A1101 ( 4.6A)
6HJ  A1101 ( 4.7A)
6HJ  A1101 (-3.1A)
6HJ  A1101 (-4.2A)
None
6HJ  A1101 ( 4.5A)
6HJ  A1101 ( 4.8A)
0.67A99.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR
(Homo
sapiens)
8 / 12LEU A 718
VAL A 726
ALA A 743
MET A 793
GLY A 796
CYH A 797
LEU A 844
THR A 854
6HJ  A1101 ( 4.6A)
6HJ  A1101 ( 4.7A)
6HJ  A1101 (-3.1A)
None
6HJ  A1101 ( 4.5A)
6HJ  A1101 (-1.6A)
6HJ  A1101 ( 4.8A)
6HJ  A1101 (-3.9A)
0.82A99.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5kbr SERINE/THREONINE-PRO
TEIN KINASE PAK 1
(Homo
sapiens)
6 / 12VAL A 284
ALA A 297
LYS A 299
GLY A 350
LEU A 396
THR A 406
IPW  A 601 (-4.2A)
IPW  A 601 (-3.5A)
IPW  A 601 (-4.5A)
IPW  A 601 ( 3.8A)
IPW  A 601 (-4.5A)
IPW  A 601 (-3.7A)
0.55A26.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5
(Homo
sapiens)
7 / 12LEU A 686
VAL A 694
ALA A 707
LYS A 709
GLY A 760
LEU A 810
ASP A 822
9E1  A1001 (-3.7A)
9E1  A1001 ( 4.0A)
9E1  A1001 (-3.5A)
9E1  A1001 (-2.8A)
9E1  A1001 (-3.4A)
9E1  A1001 (-4.5A)
9E1  A1001 (-3.6A)
1.08A11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
5w5j RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2
(Homo
sapiens)
8 / 12LEU A  24
VAL A  32
ALA A  45
LYS A  47
THR A  95
MET A  98
GLY A 101
LEU A 153
9WS  A 401 ( 4.2A)
9WS  A 401 ( 4.6A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.3A)
9WS  A 401 (-3.2A)
None
9WS  A 401 ( 4.3A)
9WS  A 401 (-4.6A)
0.58A27.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6ao5 SERINE/THREONINE-PRO
TEIN KINASE 3
(Homo
sapiens)
7 / 12LEU A  33
VAL A  41
ALA A  54
LYS A  56
GLY A 105
LEU A 153
ASP A 164
ANP  A 501 ( 3.8A)
ANP  A 501 (-4.4A)
ANP  A 501 ( 3.7A)
ANP  A 501 (-2.4A)
ANP  A 501 ( 4.0A)
ANP  A 501 (-4.6A)
MG  A 502 ( 3.1A)
0.57A27.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)
6cz4 PROTEIN-TYROSINE
KINASE 6
(Homo
sapiens)
8 / 12LEU A 197
VAL A 205
ALA A 217
LYS A 219
THR A 264
MET A 267
GLY A 270
LEU A 319
FKY  A9001 (-4.1A)
FKY  A9001 ( 4.6A)
FKY  A9001 (-3.3A)
None
FKY  A9001 (-3.0A)
None
FKY  A9001 (-3.3A)
FKY  A9001 ( 4.9A)
0.84A16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5
(Homo
sapiens)
5 / 12SER 1 403
ASN 1 269
LEU 1 300
ASP 1 383
GLY 1 354
None
1.17A10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens)
5 / 12SER A 431
ASN A 260
ASN A 257
ASP A 520
GLY A 518
None
1.20A8.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
2d99 GENERAL
TRANSCRIPTION FACTOR
II-I REPEAT
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 12SER A  73
PHE A  78
LEU A  80
ASP A  17
ILE A  69
None
1.37A22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
6 / 12PHE A 226
ASN A 257
ASP A 313
GLY A 316
ASP A 320
ILE A 386
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
0.55A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
2izv SUPPRESSOR OF
CYTOKINE SIGNALING 4
(Homo
sapiens)
5 / 12SER A 323
ASN A 282
LEU A 278
GLY A 289
PHE A 387
None
None
None
CL  A1432 ( 4.0A)
CL  A1432 ( 4.6A)
1.35A19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
2v9t ROUNDABOUT HOMOLOG 1
SLIT HOMOLOG 2
PROTEIN N-PRODUCT
(Homo
sapiens;
Homo
sapiens)
5 / 12SER A  75
ASN B 334
ASN B 358
LEU B 331
GLY B 288
None
1.30A21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)
5 / 12SER A 421
ASN A 250
ASN A 247
ASP A 510
GLY A 508
None
None
BIX  A   1 (-3.2A)
None
BIX  A   1 (-3.4A)
1.17A9.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5
(Homo
sapiens)
5 / 12SER A 403
ASN A 269
LEU A 300
ASP A 383
GLY A 354
None
1.22A14.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
5 / 12ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
1.19A58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
7 / 12PHE A 231
ASN A 265
PHE A 268
ASP A 326
GLY A 329
ASP A 333
ILE A 399
BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
0.62A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3rw7 NUCLEAR RNA EXPORT
FACTOR 1
(Homo
sapiens)
5 / 12ASN A 301
ASN A 325
LEU A 298
ASN A 297
GLY A 231
None
1.24A15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
(Homo
sapiens)
5 / 12ASN A 277
ASN A 301
LEU A 274
ASN A 273
GLY A 228
None
1.18A8.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1
(Homo
sapiens;
Homo
sapiens)
5 / 12SER B 228
ASN A 277
ASN A 301
LEU A 274
GLY A 228
None
1.24A14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 12ASN A 222
ASN A 223
LEU A 254
PHE A 258
PHE A 319
BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 ( 4.7A)
1.17A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 12ASN A 223
LEU A 254
ASN A 255
PHE A 258
PHE A 319
None
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 ( 4.7A)
1.01A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
6 / 12SER A 120
ASN A 222
PHE A 224
ASP A 313
GLY A 316
PHE A 319
BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
1.49A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
6 / 12SER A 120
PHE A 224
ASP A 313
GLY A 316
PHE A 319
ASP A 320
BHF  A 602 ( 4.5A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
1.48A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
9 / 12SER A 122
ASN A 222
ASN A 223
PHE A 224
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ILE A 386
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
None
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
0.69A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
10 / 12SER A 122
ASN A 223
PHE A 224
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ASP A 320
ILE A 386
HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
0.48A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
4ztd PROLIFERATING CELL
NUCLEAR ANTIGEN
(Homo
sapiens)
5 / 12ASN A  36
LEU A  50
ASP A 243
GLY A  56
PHE A  57
None
1.37A15.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL
(Homo
sapiens)
5 / 12ASN B  94
ASN B  93
ASN B 239
GLY B 133
ILE B 161
None
1.33A12.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_0
(CYTOCHROME P450 1A1)
5lsk KINETOCHORE-ASSOCIAT
ED PROTEIN DSN1
HOMOLOG
KINETOCHORE-ASSOCIAT
ED PROTEIN NSL1
HOMOLOG
(Homo
sapiens;
Homo
sapiens)
5 / 12LEU N  52
PHE D 178
ASP D 180
GLY D 181
ASP D 185
None
1.27A14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA
(Homo
sapiens)
4 / 5ILE A 647
SER A 708
ALA A 611
LEU A 569
None
0.92A7.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
1bix AP ENDONUCLEASE 1
(Homo
sapiens)
4 / 5ILE A  91
SER A 135
LEU A 316
LYS A  58
None
0.99A15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
1zrz PROTEIN KINASE C,
IOTA
(Homo
sapiens)
4 / 5ILE A 353
SER A 354
ALA A 346
LEU A 331
None
1.06A14.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
4 / 5ILE A 117
ALA A 317
LEU A 497
LYS A 500
None
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.4A)
None
0.42A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
2rex RHO-RELATED
GTP-BINDING PROTEIN
RHO6
(Homo
sapiens)
4 / 5ILE B 147
SER B 148
ALA B 156
LEU B 104
None
None
UNX  B 559 ( 4.1A)
None
1.02A14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens)
4 / 5ILE A 291
ALA A 332
LEU A 270
LYS A 490
None
0.99A13.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
3hf1 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT M2 B
(Homo
sapiens)
4 / 5ILE A 224
SER A 220
ALA A  97
LYS A 168
None
0.95A14.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
4 / 5SER A 127
ALA A 330
LEU A 509
LYS A 512
BHF  A 800 ( 4.6A)
HEM  A 900 ( 3.4A)
BHF  A 800 (-4.7A)
None
0.77A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
4cak INTEGRIN ALPHA-IIB
(Homo
sapiens)
4 / 5ILE A 701
SER A 344
ALA A 650
LEU A 614
None
1.03A6.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1
(Homo
sapiens)
4 / 5ILE A 738
SER A 739
ALA A 747
LEU A 709
None
1.07A15.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 5ILE A 115
SER A 116
ALA A 317
LEU A 496
LYS A 499
BHF  A 602 (-4.7A)
BHF  A 602 (-3.2A)
BHF  A 602 ( 3.4A)
None
None
0.43A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
4n49 CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1
(Homo
sapiens)
4 / 5ILE A 342
SER A 343
ALA A 462
LEU A 385
None
0.93A15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
4xwx SHC-TRANSFORMING
PROTEIN 1
(Homo
sapiens)
4 / 5ILE A 150
SER A 149
ALA A 143
LEU A 124
None
1.06A18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
5cek TRIBBLES HOMOLOG 1
(Homo
sapiens)
4 / 5ILE A 307
SER A 308
ALA A 183
LEU A 277
None
0.94A13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL
(Homo
sapiens)
4 / 5ILE A1192
SER A1193
ALA A1180
LEU A1296
None
0.98A4.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
5ikr PROSTAGLANDIN G/H
SYNTHASE 2
(Homo
sapiens)
4 / 5ILE A 452
SER A 455
ALA A 506
LEU A 181
None
0.97A10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
5uvg SPHINGOMYELIN
PHOSPHODIESTERASE
3,SPHINGOMYELIN
PHOSPHODIESTERASE 3
(Homo
sapiens)
4 / 5ILE A 630
SER A 350
ALA A 162
LEU A 360
None
0.91A11.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens)
4 / 5ILE A 125
ALA A 166
LEU A 104
LYS A 324
None
0.96Aundetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)
6d9h CHIMERA PROTEIN OF
MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4 AND
ADENOSINE RECEPTOR
A1
(Homo
sapiens)
4 / 5ILE R 239
SER R 235
ALA R 289
LEU R  51
None
1.07A21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2
(Homo
sapiens)
5 / 12ILE A 544
SER A 539
LEU A 505
PHE A 445
PHE A 480
None
1.43A9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
1zsq MYOTUBULARIN-RELATED
PROTEIN 2
(Homo
sapiens)
5 / 12ILE A 544
SER A 539
LEU A 505
PHE A 445
PHE A 480
None
1.42A10.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
7 / 12ILE A 117
PHE A 226
ASN A 257
ASP A 313
ASP A 320
ILE A 386
LYS A 500
None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
None
0.65A81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
6 / 12ILE A 117
PHE A 226
ASN A 257
PHE A 260
ASP A 320
LYS A 500
None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.6A)
BHF  A 800 (-4.0A)
None
0.92A81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 12PHE A 226
LEU A 219
ASP A 313
ILE A 386
LYS A 500
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
HEM  A 900 (-4.0A)
None
1.44A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)
(Homo
sapiens)
5 / 12ASN A 361
PHE A 405
LEU A 358
ASN A 399
ILE A 133
None
1.48A11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2odp COMPLEMENT C2
(Homo
sapiens)
5 / 12SER A 256
LEU A 406
PHE A 278
ASP A 240
ILE A 252
None
None
None
MG  A 901 ( 3.9A)
None
1.49A10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)
5 / 12LEU A 532
ASN A 530
ASP A 502
PHE A 516
ILE A 454
None
1.25A9.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
7 / 12PHE A 231
ASN A 265
PHE A 268
ASP A 326
ASP A 333
ILE A 399
LYS A 512
BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
None
0.81A58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
5 / 12SER A 131
LEU A 224
ASP A 326
ASP A 333
LYS A 512
BHF  A 800 ( 4.7A)
None
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.1A)
None
1.43A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4crs SERINE/THREONINE-PRO
TEIN KINASE N2
(Homo
sapiens)
5 / 12ILE A 685
LEU A 723
PHE A 735
PHE A 977
ASP A 978
None
1.45A11.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 12ILE A 115
ASN A 223
PHE A 224
ASN A 255
ILE A 386
BHF  A 602 (-4.7A)
None
BHF  A 602 (-3.3A)
None
HEM  A 601 (-3.6A)
1.34A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
8 / 12ILE A 115
SER A 122
ASN A 222
LEU A 254
ASN A 255
PHE A 258
ASP A 313
PHE A 319
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
0.90A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
9 / 12ILE A 115
SER A 122
ASN A 222
PHE A 224
ASN A 255
PHE A 258
ASP A 313
PHE A 319
ILE A 386
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
0.75A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
9 / 12ILE A 115
SER A 122
PHE A 224
ASN A 255
ASP A 313
PHE A 319
ASP A 320
ILE A 386
LYS A 499
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
None
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
None
0.44A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
9 / 12ILE A 115
SER A 122
PHE A 224
ASN A 255
PHE A 258
ASP A 313
PHE A 319
ASP A 320
ILE A 386
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
0.57A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 12SER A 122
LEU A 217
ASP A 313
ASP A 320
LYS A 499
HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.7A)
None
1.35A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
5 / 12SER A 122
PHE A 315
ASP A 313
ASP A 320
LYS A 499
HEM  A 601 (-3.4A)
None
BHF  A 602 (-3.7A)
BHF  A 602 (-3.7A)
None
1.44A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4igg CATENIN ALPHA-1
(Homo
sapiens)
5 / 12LEU A 364
ASN A 365
PHE A 301
ASP A 292
ILE A 792
None
1.45A6.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4kjy LEUKOCYTE SURFACE
ANTIGEN CD47
HIGH-AFFINITY SIRPA
VARIANT FD6
(Homo
sapiens;
Homo
sapiens)
5 / 12ILE B  36
LEU B  48
PHE B  39
ASP B 100
LYS A  39
None
1.32A18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4
(Homo
sapiens)
5 / 12SER A 371
LEU A 425
ASN A 423
ASP A 395
PHE A 409
None
1.38A9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
5c16 MYOTUBULARIN-RELATED
PROTEIN 1
(Homo
sapiens)
5 / 12ILE A 565
SER A 560
LEU A 526
PHE A 466
PHE A 501
None
1.44A9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
5edv E3 UBIQUITIN-PROTEIN
LIGASE RNF31
(Homo
sapiens)
5 / 12ILE A 739
PHE A 762
LEU A 769
PHE A 730
ASP A 741
None
1.40A11.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
5lkz HISTONE
ACETYLTRANSFERASE
P300,HISTONE
ACETYLTRANSFERASE
P300
(Homo
sapiens)
5 / 12ILE A1417
PHE A1374
PHE A1448
ASP A1399
ILE A1395
None
None
None
COO  A1705 (-4.2A)
None
1.40A8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT
N-ALPHA-ACETYLTRANSF
ERASE 10
(Homo
sapiens;
Homo
sapiens)
5 / 12SER A 121
PHE A 523
ASP A 524
ILE A 125
LYS B  29
None
1.39A25.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
1ih5 AQUAPORIN-1
(Homo
sapiens)
4 / 7ASN A  76
GLY A 219
ALA A 221
LEU A  81
None
0.77A16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
1u59 TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)
4 / 7PHE A 586
ALA A 464
VAL A 438
LEU A 442
None
0.73A14.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
4 / 7PHE A 253
GLY A 316
ALA A 317
LEU A 497
None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.4A)
0.35A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
2hlw UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1
(Homo
sapiens)
4 / 7ASN A 114
GLY A 121
VAL A 143
LEU A 147
None
0.84A17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
2m8h RNA-BINDING PROTEIN
7
(Homo
sapiens)
4 / 7GLY A  41
ALA A  40
VAL A  21
LEU A  19
None
0.79A17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)
4 / 7PHE A 586
ALA A 464
VAL A 438
LEU A 442
None
0.70A8.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
3j7y MS30
(Homo
sapiens)
5 / 7ASN s 280
GLY s 337
ALA s 340
VAL s  76
LEU s  80
None
1.48A12.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
6 / 7SER A 127
PHE A 261
GLY A 329
ALA A 330
VAL A 395
LEU A 509
BHF  A 800 ( 4.6A)
None
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
HEM  A 900 (-4.6A)
BHF  A 800 (-4.7A)
0.55A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
3qpq C1068 HEAVY CHAIN
(Homo
sapiens;
Mus
musculus)
4 / 7GLY H   8
ALA H   9
VAL H  18
LEU H  20
None
0.80A16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
4akv SORTING NEXIN-33
(Homo
sapiens)
4 / 7ASN A 481
GLY A 355
ALA A 356
LEU A 488
None
0.80A12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
4b8w GDP-L-FUCOSE
SYNTHASE
(Homo
sapiens)
4 / 7ASN A  96
GLY A  14
VAL A  61
LEU A  57
None
NAP  A 900 (-3.0A)
None
None
0.74A14.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
7 / 7SER A 116
ASN A 223
PHE A 251
GLY A 316
ALA A 317
VAL A 382
LEU A 496
BHF  A 602 (-3.2A)
None
None
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
HEM  A 601 (-4.9A)
None
0.38A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)
4 / 7ASN A 378
GLY A 311
VAL A 345
LEU A 341
None
EDO  A 601 ( 3.8A)
None
None
0.69A20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_1
(CYTOCHROME P450 1A1)
5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)
4 / 7ASN A 378
GLY A 312
VAL A 345
LEU A 341
None
EDO  A 612 ( 3.2A)
None
None
0.73A20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
1nst HEPARAN SULFATE
N-DEACETYLASE/N-SULF
OTRANSFERASE
(Homo
sapiens)
5 / 12LEU A 859
ASN A 856
ASP A 708
ILE A 734
LEU A 752
None
0.99A14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)
(Homo
sapiens)
5 / 12ILE A 235
ASP A 257
GLY A 258
ILE A 242
LEU A 254
None
1.05A10.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
7 / 12ILE A 117
PHE A 226
ASN A 257
ASP A 313
GLY A 316
ILE A 386
LEU A 497
None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.4A)
0.64A81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 12ILE A 117
PHE A 226
ASN A 257
PHE A 260
LEU A 497
None
BHF  A 800 (-3.6A)
None
BHF  A 800 (-3.6A)
BHF  A 800 (-4.4A)
0.89A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3e73 LANC-LIKE PROTEIN 1
(Homo
sapiens)
5 / 12ILE A 182
LEU A 140
ASN A 141
GLY A 157
LEU A 163
None
1.06A12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B
(Homo
sapiens)
5 / 12ILE A1124
PHE A1179
GLY A1157
ILE A1229
LEU A1184
None
1.00A8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3fn1 NEDD8-CONJUGATING
ENZYME UBE2F
(Homo
sapiens)
5 / 12ILE B 104
PHE B 172
PHE B 153
ILE B 115
LEU B 146
None
1.13A18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3h11 CASP8 AND FADD-LIKE
APOPTOSIS REGULATOR
(Homo
sapiens)
5 / 12ILE A 289
SER A 314
GLY A 330
ILE A 357
LEU A 333
None
1.06A18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3h68 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 5
(Homo
sapiens)
5 / 12SER A 403
ASN A 269
LEU A 300
ASP A 383
GLY A 354
None
1.15A14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3mwe ATP-CITRATE SYNTHASE
(Homo
sapiens)
5 / 12ILE A 357
LEU A 388
GLY A 341
ILE A 323
LEU A 338
None
1.13A11.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
6 / 12ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
LEU A 509
BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 (-4.7A)
1.11A58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
7 / 12PHE A 231
ASN A 265
PHE A 268
ASP A 326
GLY A 329
ILE A 399
LEU A 509
BHF  A 800 (-3.4A)
None
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.7A)
0.65A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4bgq CYCLIN-DEPENDENT
KINASE-LIKE 5
(Homo
sapiens)
5 / 12ILE A 123
SER A 196
LEU A  67
ILE A 200
LEU A 141
None
1.11A13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4cak INTEGRIN BETA-3
(Homo
sapiens)
5 / 12ASP B 259
GLY B 222
PHE B 156
ILE B 325
LEU B 306
None
1.14A9.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
7 / 12ASN A 222
LEU A 254
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
BHF  A 602 ( 3.8A)
None
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
0.95A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
6 / 12ILE A 115
ASN A 223
PHE A 224
ASN A 255
ILE A 386
LEU A 496
BHF  A 602 (-4.7A)
None
BHF  A 602 (-3.3A)
None
HEM  A 601 (-3.6A)
None
1.44A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
11 / 12ILE A 115
SER A 122
ASN A 222
PHE A 224
ASN A 255
PHE A 258
ASP A 313
GLY A 316
PHE A 319
ILE A 386
LEU A 496
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
None
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
None
0.63A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
6 / 12SER A 120
ASN A 222
PHE A 224
ASP A 313
GLY A 316
PHE A 319
BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
1.44A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4
(Homo
sapiens)
5 / 12LEU A 425
ASN A 423
ASP A 395
PHE A 409
LEU A 358
None
1.08A9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE
(Homo
sapiens)
5 / 12ILE A 491
LEU A 483
GLY A 449
ILE A 500
LEU A 503
None
1.04A7.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)
5hmp UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens)
5 / 12ILE A 158
GLY A 432
PHE A 430
ILE A 436
LEU A 635
None
0.97A7.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
1kfu M-CALPAIN LARGE
SUBUNIT
(Homo
sapiens)
3 / 3SER L 241
SER L 336
ALA L 199
None
0.48A8.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
1l1o REPLICATION PROTEIN
A 32 KDA SUBUNIT
REPLICATION PROTEIN
A 70 KDA DNA-BINDING
SUBUNIT
(Homo
sapiens;
Homo
sapiens)
3 / 3SER C 613
SER C 609
ALA B 165
None
0.71A15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2a9m FLUORESCEIN-SCFV
HEAVY CHAIN
(Homo
sapiens)
3 / 3SER H 113
SER H 134
ALA H 107
None
0.52A21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2a9m FLUORESCEIN-SCFV
HEAVY CHAIN
(Homo
sapiens)
3 / 3SER H 114
SER H 113
ALA H 107
None
0.69A21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2j1l RHO-RELATED
GTP-BINDING PROTEIN
RHOD
(Homo
sapiens)
3 / 3SER A 193
SER A 192
ALA A 167
None
0.72A16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2vx2 ENOYL-COA HYDRATASE
DOMAIN-CONTAINING
PROTEIN 3
(Homo
sapiens)
3 / 3SER A 167
SER A 170
ALA A  98
None
0.69A16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1
(Homo
sapiens)
3 / 3SER A 812
SER A 810
ALA A 770
MG  A1007 (-3.0A)
MG  A1007 (-3.9A)
None
0.59A9.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
3 / 3SER A 127
SER A 131
ALA A 330
BHF  A 800 ( 4.6A)
BHF  A 800 ( 4.7A)
HEM  A 900 ( 3.4A)
0.62A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG
(Escherichia
coli;
Homo
sapiens)
3 / 3SER A 454
SER A 436
ALA A 371
None
0.60A8.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
4fys AMINOPEPTIDASE N
(Homo
sapiens)
3 / 3SER A 373
SER A 374
ALA A 308
None
0.62A6.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_C_AQ4C602_1
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
3 / 3SER A 116
SER A 120
ALA A 317
BHF  A 602 (-3.2A)
BHF  A 602 ( 4.5A)
BHF  A 602 ( 3.4A)
0.30A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
2d92 INAD-LIKE PROTEIN
(Homo
sapiens)
5 / 12ILE A  32
GLY A  29
ALA A  57
ILE A 101
LEU A  99
None
0.94A20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)
(Homo
sapiens)
5 / 12ILE A 235
ASP A 257
GLY A 258
ILE A 242
LEU A 254
None
1.06A10.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
8 / 12ILE A 117
PHE A 226
ASP A 313
GLY A 316
ALA A 317
ASP A 320
ILE A 386
LEU A 497
None
BHF  A 800 (-3.6A)
BHF  A 800 (-3.9A)
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
BHF  A 800 (-4.0A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.4A)
0.48A81.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
2hi4 CYTOCHROME P450 1A2
(Homo
sapiens)
5 / 12ILE A 117
PHE A 226
PHE A 260
ASP A 320
LEU A 497
None
BHF  A 800 (-3.6A)
BHF  A 800 (-3.6A)
BHF  A 800 (-4.0A)
BHF  A 800 (-4.4A)
1.01A81.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3ber PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX47
(Homo
sapiens)
5 / 12PHE A  26
GLY A  76
ALA A  77
ILE A  52
LEU A  29
AMP  A 300 (-4.9A)
None
None
None
None
0.90A18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B
(Homo
sapiens)
5 / 12ILE A1124
PHE A1179
GLY A1157
ILE A1229
LEU A1184
None
1.08A8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B
(Homo
sapiens)
5 / 12ILE A1169
PHE A1179
GLY A1157
ASP A1176
ILE A1192
None
0.91A8.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
6 / 12ASN A 228
PHE A 231
PHE A 268
ASP A 326
GLY A 329
LEU A 509
BHF  A 800 (-4.2A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
BHF  A 800 (-4.7A)
1.26A58.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3pm0 CYTOCHROME P450 1B1
(Homo
sapiens)
8 / 12PHE A 231
PHE A 268
ASP A 326
GLY A 329
ALA A 330
ASP A 333
ILE A 399
LEU A 509
BHF  A 800 (-3.4A)
BHF  A 800 ( 3.8A)
BHF  A 800 (-3.4A)
BHF  A 800 ( 4.0A)
HEM  A 900 ( 3.4A)
BHF  A 800 ( 4.1A)
HEM  A 900 (-4.0A)
BHF  A 800 (-4.7A)
0.71A58.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
3wsy SORTILIN-RELATED
RECEPTOR
(Homo
sapiens)
5 / 12ASN A 674
ASP A 357
GLY A 733
ASP A 734
LEU A 644
NAG  A 805 (-1.7A)
None
None
None
None
1.06A8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4duu PLASMINOGEN
(Homo
sapiens)
5 / 12SER A 203
PHE A 227
GLY A 199
ALA A 675
ASP A 676
None
0.97A8.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4
(Homo
sapiens)
5 / 12SER A 162
PHE A  98
ASP A 159
GLY A  74
PHE A 142
None
1.04A13.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
11 / 12ILE A 115
SER A 122
ASN A 222
PHE A 224
PHE A 258
ASP A 313
GLY A 316
ALA A 317
PHE A 319
ILE A 386
LEU A 496
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 ( 3.8A)
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
BHF  A 602 ( 4.7A)
HEM  A 601 (-3.6A)
None
0.78A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
11 / 12ILE A 115
SER A 122
PHE A 224
PHE A 258
ASP A 313
GLY A 316
ALA A 317
PHE A 319
ASP A 320
ILE A 386
LEU A 496
BHF  A 602 (-4.7A)
HEM  A 601 (-3.4A)
BHF  A 602 (-3.3A)
BHF  A 602 ( 3.9A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
HEM  A 601 (-3.6A)
None
0.53A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4i8v CYTOCHROME P450 1A1
(Homo
sapiens)
6 / 12SER A 120
PHE A 224
ASP A 313
GLY A 316
PHE A 319
ASP A 320
BHF  A 602 ( 4.5A)
BHF  A 602 (-3.3A)
BHF  A 602 (-3.7A)
BHF  A 602 (-3.5A)
BHF  A 602 ( 4.7A)
BHF  A 602 (-3.7A)
1.42A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4
(Homo
sapiens)
5 / 12ILE A 244
GLY A 266
ALA A 291
ILE A 277
LEU A 295
None
1.09A9.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
5hmp UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens)
5 / 12ILE A 158
GLY A 432
PHE A 430
ILE A 436
LEU A 635
None
1.03A7.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_D_AQ4D602_0
(CYTOCHROME P450 1A1)
5zya SPLICING FACTOR 3B
SUBUNIT 1
(Homo
sapiens)
5 / 12ILE C 872
GLY C 880
ALA C 881
ASP C 883
LEU C 888
None
1.05A23.33