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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 11LEU A 110
GLY A 212
LEU A 213
PHE A 247
LEU A 248
None
0.98A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
7 / 11LEU A 110
PHE A 120
GLY A 212
PHE A 247
LEU A 248
ALA A 300
SER A 304
None
HEM  A 600 (-4.6A)
None
None
None
None
None
0.60A99.37
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)
5 / 11LEU A 290
PHE A 296
GLY A 326
ALA A 240
PHE A 217
None
1.17A22.29
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2knh PROTEIN CBFA2T1
(Homo
sapiens)
5 / 11LEU A 337
GLY A 302
LEU A 301
PHE A 313
LEU A 333
None
1.15A11.70
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM
(Homo
sapiens)
5 / 11LEU A 544
PHE A 538
GLY A 530
LEU A 564
ALA A 579
None
1.22A22.35
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
3ahr ERO1-LIKE PROTEIN
ALPHA
(Homo
sapiens)
5 / 11LEU A 254
GLU A 186
GLN A 404
LEU A 307
SER A 453
None
1.21A22.51
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
3f1r FIBROBLAST GROWTH
FACTOR 20
(Homo
sapiens)
5 / 11LEU A 203
GLY A 112
LEU A 117
PHE A  95
LEU A  94
None
1.16A20.67
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1
(Homo
sapiens)
5 / 11LEU A  82
GLY A  38
LEU A  78
ALA A   9
SER A  13
None
1.14A21.44
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT
(Homo
sapiens)
5 / 11LEU A  90
LEU A 241
LEU A  88
ALA A 163
PHE A 235
None
1.12A20.45
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
3zrh UBIQUITIN
THIOESTERASE ZRANB1
(Homo
sapiens)
5 / 11LEU A 375
LEU A 363
ALA A 465
SER A 469
PHE A 370
None
1.16A21.29
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens)
5 / 11LEU A 453
PHE A 320
GLY A 335
ALA A 350
SER A 510
None
1.02A20.62
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
4rcd BETA-SECRETASE 1
(Homo
sapiens)
5 / 11LEU A 133
GLY A 120
LEU A 121
PHE A  38
ALA A  97
None
1.21A21.47
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
5kre LYSOPHOSPHOLIPASE-LI
KE PROTEIN 1
(Homo
sapiens)
5 / 11LEU A 194
PHE A 150
LEU A 171
ALA A 146
PHE A  78
None
NO3  A 302 (-4.4A)
None
None
None
1.08A18.51
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)
5 / 11LEU A 263
LEU A 322
GLU A 321
LEU A 268
ALA A 432
None
1.12A20.18
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
6caj TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA
(Homo
sapiens)
5 / 11LEU C 144
GLY C  40
LEU C  41
LEU C 140
PHE C  18
None
0.96A10.11
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
6ej2 BETA-SECRETASE 1
(Homo
sapiens)
5 / 11LEU A 542
GLY A 529
LEU A 530
PHE A 447
ALA A 506
None
1.21A13.07
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)
6ffh METABOTROPIC
GLUTAMATE RECEPTOR
5,ENDOLYSIN
(Escherichia
virus
T4;
Homo
sapiens)
5 / 11GLY A 628
LEU A 630
LEU A1814
ALA A 593
PHE A 633
D7W  A4006 (-3.4A)
YCM  A 634 ( 4.2A)
None
None
OLA  A4004 (-4.8A)
1.17A9.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
6 / 9LEU A 110
PHE A 120
GLN A 244
ASP A 301
SER A 304
ALA A 305
None
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
1.19A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
7 / 9LEU A 110
PHE A 120
PHE A 247
ALA A 300
ASP A 301
SER A 304
ALA A 305
None
HEM  A 600 (-4.6A)
None
None
None
None
HEM  A 600 (-3.6A)
0.53A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
6 / 9LEU A 248
PHE A 120
GLN A 244
ASP A 301
SER A 304
ALA A 305
None
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
1.43A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 9LEU A 248
PHE A 120
GLU A 216
GLN A 244
ALA A 305
None
HEM  A 600 (-4.6A)
None
None
HEM  A 600 (-3.6A)
1.46A99.37
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)
4zrq TRANSCOBALAMIN-2
(Homo
sapiens)
5 / 9LEU A 388
GLU A 219
ALA A 264
SER A 259
ALA A 258
None
1.40A23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
6 / 11LEU A 110
PHE A 120
GLY A 212
GLN A 244
ASP A 301
SER A 304
None
HEM  A 600 (-4.6A)
None
None
None
None
1.24A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
7 / 11LEU A 110
PHE A 120
GLY A 212
PHE A 247
ALA A 300
ASP A 301
SER A 304
None
HEM  A 600 (-4.6A)
None
None
None
None
None
0.61A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
6 / 11LEU A 248
PHE A 120
GLY A 212
GLN A 244
ASP A 301
SER A 304
None
HEM  A 600 (-4.6A)
None
None
None
None
1.47A99.37
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2hpa PROTEIN (ACID
PHOSPHATASE)
(Homo
sapiens)
5 / 11LEU A1283
GLY A1050
LEU A1091
PHE A1010
PHE A1092
None
1.36A20.82
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)
5 / 11LEU A 290
PHE A 296
GLY A 326
ALA A 240
PHE A 217
None
1.28A22.29
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
3e5m NMRA-LIKE FAMILY
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 11GLY A 113
LEU A 114
GLU A 115
ASP A 186
PHE A 130
None
1.26A21.89
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)
5 / 11LEU A1230
GLY A1223
GLU A1225
ALA A1243
SER A1245
None
1.12A22.89
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
4oe5 DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens)
5 / 11LEU A 453
PHE A 320
GLY A 335
ALA A 350
SER A 510
None
0.98A20.62
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
4wlp NUCLEAR FACTOR
RELATED TO
KAPPA-B-BINDING
PROTEIN
UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5
(Homo
sapiens)
5 / 11LEU B 146
PHE A 121
ALA A 123
ASP A 122
PHE A 114
None
1.38A13.58
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
5a1n BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE
(Homo
sapiens)
5 / 11LEU A  82
GLY A  16
LEU A  19
ALA A  59
PHE A 160
None
1.26A18.03
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
5wrr PSEUDOKINASE FAM20A
(Homo
sapiens)
5 / 11PHE A 275
GLY A 407
PHE A 435
ALA A 266
ASP A 270
None
1.21A24.06
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
5xqh PROTEIN ROGDI
HOMOLOG
(Homo
sapiens)
5 / 11GLY A  79
LEU A  77
PHE A  45
ALA A 257
ASP A 256
None
1.28A18.87
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
(Homo
sapiens)
5 / 11LEU C 662
GLY C 769
LEU C 773
GLU C 775
SER C 735
None
1.34A7.59
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C
(Homo
sapiens)
5 / 11PHE C 323
GLY C 455
PHE C 483
ALA C 314
ASP C 318
None
1.23A13.67
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1htn TETRANECTIN
(Homo
sapiens)
5 / 10GLY A 105
GLU A 107
LEU A 172
SER A 156
ALA A 159
None
1.29A18.87
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1hzf COMPLEMENT FACTOR
C4A
(Homo
sapiens)
5 / 10LEU A1254
ALA A1263
ASP A1264
SER A1267
ALA A1268
None
1.18A23.94
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1jkw CYCLIN H
(Homo
sapiens)
5 / 10PHE A 194
LEU A 195
ALA A 216
SER A 220
ALA A 221
None
0.98A20.90
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1qu6 PROTEIN KINASE PKR
(Homo
sapiens)
5 / 10PHE A  48
GLY A  13
LEU A  19
ALA A  73
ALA A  68
None
1.26A18.68
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1tn3 TETRANECTIN
(Homo
sapiens)
5 / 10GLY A 105
GLU A 107
LEU A 172
SER A 156
ALA A 159
None
1.23A18.44
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1ug3 EUKARYOTIC PROTEIN
SYNTHESIS INITIATION
FACTOR 4G
(Homo
sapiens)
5 / 10GLY A1455
LEU A1448
ALA A1486
SER A1490
ALA A1491
None
0.88A21.84
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
1w8d 2,4-DIENOYL-COA
REDUCTASE,
MITOCHONDRIAL
PRECURSOR
(Homo
sapiens)
5 / 10PHE A  57
LEU A  82
ALA A 282
SER A 286
ALA A 289
GOL  A1329 ( 4.2A)
None
None
GOL  A1329 (-4.3A)
None
1.31A22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 10PHE A 120
GLY A 212
GLN A 244
ASP A 301
ALA A 305
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
1.05A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 10PHE A 120
GLY A 212
GLU A 216
GLN A 244
ALA A 305
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
1.27A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
5 / 10PHE A 120
GLY A 212
GLU A 216
LEU A 251
ALA A 305
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
1.30A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
8 / 10PHE A 120
GLY A 212
PHE A 247
LEU A 248
ALA A 300
ASP A 301
SER A 304
ALA A 305
HEM  A 600 (-4.6A)
None
None
None
None
None
None
HEM  A 600 (-3.6A)
0.53A99.37
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE
(Homo
sapiens)
5 / 10GLY A  58
GLN A  59
PHE A  62
ALA A  90
ALA A  50
None
1.18A23.03
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2oby PUTATIVE QUINONE
OXIDOREDUCTASE
(Homo
sapiens)
5 / 10GLY A  62
GLN A  95
LEU A 330
ALA A  36
ALA A 120
None
1.08A23.48
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2p2c CASPASE-2
(Homo
sapiens)
5 / 10GLY P 124
LEU P 117
ALA P 149
SER P 153
ALA P 162
None
1.29A14.91
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
2z8c INSULIN RECEPTOR
(Homo
sapiens)
5 / 10PHE A1276
LEU A1267
ALA A1114
ASP A1118
ALA A1121
None
1.27A21.38
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
3f0w NUMB-LIKE PROTEIN
(Homo
sapiens)
5 / 10GLY A  86
LEU A 175
ALA A 156
ASP A 150
SER A 158
None
1.05A17.20
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1
(Homo
sapiens)
5 / 10PHE A 273
GLY A 431
PHE A 291
ASP A 274
ALA A 276
None
1.14A17.80
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
4eku PROTEIN-TYROSINE
KINASE 2-BETA
(Homo
sapiens)
5 / 10GLY A 282
GLU A 263
LEU A 354
ASP A 346
ALA A 345
None
1.31A19.68
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
4nen INTEGRIN ALPHA-X
(Homo
sapiens)
5 / 10PHE A 361
GLY A  90
LEU A  87
ALA A 339
ALA A 350
None
1.29A19.43
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
4otd SERINE/THREONINE-PRO
TEIN KINASE N1
(Homo
sapiens)
5 / 10GLY A 808
LEU A 815
ALA A 723
SER A 727
ALA A 728
None
0.64A22.55
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
5e6s INTEGRIN ALPHA-L
(Homo
sapiens)
5 / 10GLY A  81
LEU A  25
ALA A  75
ASP A 332
ALA A 338
None
1.35A21.40
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
5xbk IMPORTIN-4
(Homo
sapiens)
5 / 10PHE D 921
GLY D 930
GLU D 928
LEU D 941
ALA D 883
None
1.13A10.95
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C
(Homo
sapiens)
5 / 10PHE C 323
GLY C 455
PHE C 483
ALA C 314
ASP C 318
None
1.26A13.67