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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
4 / 7LEU A 302
PHE A 303
GLY A 306
THR A 310
HEM  A 600 ( 4.5A)
None
HEM  A 600 (-3.1A)
HEM  A 600 (-4.0A)
0.58A45.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
2f9q CYTOCHROME P450 2D6
(Homo
sapiens)
4 / 7SER A 135
LEU A 302
GLY A 306
THR A 309
None
HEM  A 600 ( 4.5A)
HEM  A 600 (-3.1A)
HEM  A 600 (-3.5A)
1.12A45.66
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE
(Homo
sapiens)
4 / 7LEU A  97
PHE A  98
GLY A 101
THR A 114
None
1.00A21.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
2nnj CYTOCHROME P450 2C8
(Homo
sapiens)
4 / 7LEU A 294
PHE A 295
GLY A 298
THR A 302
HEM  A 500 ( 4.3A)
None
HEM  A 500 (-3.4A)
HEM  A 500 (-4.2A)
0.49A55.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
2pg6 CYTOCHROME P450 2A6
(Homo
sapiens)
5 / 7SER A 131
LEU A 298
GLY A 302
THR A 305
ILE A 366
None
None
HEM  A 500 (-3.5A)
HEM  A 500 (-3.6A)
HEM  A 500 ( 4.1A)
1.32A55.56
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
3ctt MALTASE-GLUCOAMYLASE
(Homo
sapiens)
4 / 7LEU A 499
GLY A 501
THR A 525
ILE A 565
None
0.80A20.29
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
3ctz XAA-PRO
AMINOPEPTIDASE 1
(Homo
sapiens)
4 / 7SER A 479
LEU A 476
GLY A 450
ILE A 567
None
0.99A22.69
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
3lpp SUCRASE-ISOMALTASE
(Homo
sapiens)
4 / 7LEU A 528
GLY A 530
THR A 554
ILE A 594
None
0.81A19.29
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA
(Homo
sapiens)
4 / 7SER A  52
LEU A  48
GLY A 137
ILE A  26
06J  A   1 ( 3.7A)
None
None
None
1.08A17.76
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
3top MALTASE-GLUCOAMYLASE
, INTESTINAL
(Homo
sapiens)
4 / 7LEU A1484
GLY A1486
THR A1509
ILE A1549
None
0.95A20.31
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
4qpm MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
(Homo
sapiens)
4 / 7SER A 862
LEU A 864
GLY A 866
ILE A 924
None
None
None
ADP  A1501 ( 4.5A)
1.05A21.59
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
4uhi STEROL 14-ALPHA
DEMETHYLASE
(Homo
sapiens)
4 / 7LEU A 308
GLY A 312
THR A 315
ILE A 377
HEM  A 540 (-4.9A)
HEM  A 540 ( 3.8A)
HEM  A 540 (-3.6A)
HEM  A 540 ( 3.9A)
0.98A25.35
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
5exr DNA PRIMASE LARGE
SUBUNIT
(Homo
sapiens)
4 / 7SER B 352
LEU B 311
GLY B 315
ILE B 276
None
1.12A21.96
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2
(Homo
sapiens)
4 / 7LEU A1163
PHE A1088
THR A1065
ILE A1067
None
0.86A18.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
5wbg CYTOCHROME P450 2B6
(Homo
sapiens)
4 / 7LEU A 295
PHE A 296
GLY A 299
THR A 303
HEM  A 501 ( 4.5A)
None
HEM  A 501 ( 3.9A)
HEM  A 501 ( 4.6A)
0.65A86.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
5xxi CYTOCHROME P450 2C9
(Homo
sapiens)
4 / 7LEU A 294
PHE A 295
GLY A 298
THR A 302
HEM  A 504 ( 4.7A)
None
HEM  A 504 (-3.4A)
HEM  A 504 (-4.3A)
0.39A51.19
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.
2BDM_A_TMIA501_1
(CYTOCHROME P450 2B4)
6bwy DU-EDITING ENZYME
APOBEC-3G FUSION
PROTECTION OF
TELOMERES PROTEIN 1,
DNA DC->
(Homo
sapiens;
Schizosaccharomy
ces
pombe)
4 / 7LEU A  65
PHE A  47
GLY A  67
ILE A 118
None
1.01A12.92
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1b47 CBL
(Homo
sapiens)
5 / 12LEU A  88
LEU A 151
THR A 152
LEU A 154
PHE A 158
None
0.81A23.14
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1b47 CBL
(Homo
sapiens)
5 / 12LEU A  88
THR A 152
LEU A 154
SER A 155
PHE A 158
None
0.80A23.14
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL
(Homo
sapiens)
5 / 12LEU A  88
LEU A 151
THR A 152
LEU A 154
PHE A 158
None
0.74A23.21
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1fbv SIGNAL TRANSDUCTION
PROTEIN CBL
(Homo
sapiens)
5 / 12LEU A  88
THR A 152
LEU A 154
SER A 155
PHE A 158
None
0.71A23.21
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME
(Homo
sapiens)
5 / 12LEU A 180
ILE A 268
LEU A 177
THR A 176
LEU A 284
None
None
None
PUT  A 401 (-3.7A)
None
1.06A21.05
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1tki TITIN
(Homo
sapiens)
5 / 12ILE A 150
LEU A 209
THR A 208
LEU A 206
SER A 205
None
1.05A20.45
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
1wy8 NP95-LIKE RING
FINGER PROTEIN,
ISOFORM A
(Homo
sapiens)
5 / 12LEU A  52
ILE A  76
ILE A  10
LEU A  65
THR A  64
None
1.02A11.40
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
2wnt RIBOSOMAL PROTEIN S6
KINASE
(Homo
sapiens)
5 / 12LEU A 497
LEU A 498
LEU A 502
ILE A 501
LEU A 604
None
0.95A21.22
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
3ahr ERO1-LIKE PROTEIN
ALPHA
(Homo
sapiens)
5 / 12LEU A  65
LEU A  68
LEU A 344
ILE A 347
ILE A 351
None
1.01A22.82
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
3ep7 S-ADENOSYLMETHIONINE
DECARBOXYLASE ALPHA
CHAIN
(Homo
sapiens)
5 / 12LEU A 180
ILE A 268
LEU A 177
THR A 176
LEU A 284
None
1.07A19.75
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
3k2j PROTEIN POLYBROMO-1
(Homo
sapiens)
5 / 12PHE A 424
LEU A 398
LEU A 405
ILE A 401
LEU A 357
None
1.07A12.16
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
3vgo E3 UBIQUITIN-PROTEIN
LIGASE CBL-B
(Homo
sapiens)
5 / 12LEU A  78
LEU A 143
THR A 144
LEU A 146
PHE A 150
None
0.89A23.00
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
4b18 IMPORTIN SUBUNIT
ALPHA-1
(Homo
sapiens)
5 / 12LEU A 305
LEU A 317
ILE A 362
LEU A 347
LEU A 344
None
1.05A21.57
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
4eku PROTEIN-TYROSINE
KINASE 2-BETA
(Homo
sapiens)
5 / 12LEU A 299
LEU A 279
ILE A 286
ILE A 348
LEU A 320
None
1.06A20.82
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
4uad IMPORTIN SUBUNIT
ALPHA-7
(Homo
sapiens)
5 / 12LEU A 303
LEU A 315
ILE A 360
LEU A 345
LEU A 342
None
1.04A22.28
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
(Homo
sapiens)
5 / 12PHE B 199
LEU B 112
LEU B 108
ILE B 122
LEU B 217
None
1.02A18.70
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
5vem ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 5
(Homo
sapiens)
5 / 12PHE A 359
LEU A 182
LEU A 184
ILE A 234
LEU A 373
None
1.05A20.84
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)
5xbk IMPORTIN-4
(Homo
sapiens)
5 / 12LEU D 989
LEU D 986
LEU D1023
ILE D1026
ILE D1030
None
0.94A12.99
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
1b4f EPHB2
(Homo
sapiens)
4 / 8GLN A  60
LEU A  64
VAL A  52
LEU A  50
None
1.01A12.70
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
1h4l CELL DIVISION
PROTEIN KINASE 5
(Homo
sapiens)
4 / 8VAL A  64
LEU A  66
VAL A  69
VAL A  35
None
0.97A21.06
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
1mx3 C-TERMINAL BINDING
PROTEIN 1
(Homo
sapiens)
4 / 8ARG A 192
LEU A 139
VAL A 262
VAL A 189
None
0.99A22.20
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2daz INAD-LIKE PROTEIN
(Homo
sapiens)
4 / 8LEU A  76
VAL A 103
LEU A  31
VAL A  55
None
1.02A14.50
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2e1f WERNER SYNDROME
ATP-DEPENDENT
HELICASE
(Homo
sapiens)
4 / 8LEU A1184
VAL A1218
LEU A1216
VAL A1198
None
0.72A11.93
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2e3l TRANSCRIPTION FACTOR
GTF2IRD2 BETA
(Homo
sapiens)
4 / 8GLN A  41
MET A  37
LEU A  38
VAL A  46
None
0.94A11.37
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2g76 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
(Homo
sapiens)
4 / 8ARG A 162
LEU A 116
VAL A 231
VAL A 159
None
0.97A22.92
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2ggz GUANYLYL
CYCLASE-ACTIVATING
PROTEIN 3
(Homo
sapiens)
4 / 8LEU A  82
LEU A  98
VAL A  59
VAL A 177
None
1.02A16.77
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
(Homo
sapiens)
4 / 8GLN I 106
ARG I 252
VAL I 100
VAL A  60
None
0.94A22.70
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2ome C-TERMINAL-BINDING
PROTEIN 2
(Homo
sapiens)
4 / 8ARG A 198
LEU A 145
VAL A 268
VAL A 195
None
0.95A21.52
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2wz9 GLUTAREDOXIN-3
(Homo
sapiens)
4 / 8LEU A  26
VAL A  66
LEU A  68
VAL A  76
None
1.03A14.71
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
2ydy METHIONINE
ADENOSYLTRANSFERASE
2 SUBUNIT BETA
(Homo
sapiens)
4 / 8LEU A 295
VAL A 227
VAL A 179
VAL A 139
None
0.95A21.27
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
3apm PROTEIN-ARGININE
DEIMINASE TYPE-4
(Homo
sapiens)
4 / 8LEU A 254
VAL A 227
LEU A 229
VAL A 203
None
1.02A21.14
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)
3byh FIMBRIN ABD2
(Homo
sapiens)
4 / 8ARG B 419
LEU B 425
VAL B 459
VAL B 479
None
1.02A17.58