Ligand ID: TMI


Drugbank ID:
DB04794
(Bifonazole)


Indication:
Used for the treatment of various topical fungal infections, including athlete's foot (tinea pedis).

Get human targets for TMI in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'TMI' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first 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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.13A22.64
None
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)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A  62
PHE A  66
GLY A  23
THR A  24
1.19A23.59
None
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)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.03A23.59
None
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)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU F1174
LEU F 920
ILE F 916
ILE D 916
LEU E 920
THR E 921
1.55A12.31
None
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)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B1032
VAL B1018
VAL B1148
VAL B1157
1.01A23.81
None
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)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU F  26
LEU A  20
ILE A  16
ILE C  16
LEU E  20
LEU D  26
1.50A7.00
None
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)		1zvb E2 GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU A  20
LEU A  24
LEU A  27
ILE A  23
ILE B  23
LEU C  24
1.38A8.61
None
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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
LEU B  32
VAL B  18
VAL B 148
VAL B 157
1.13A23.61
None
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)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
VAL D  27
LEU D  25
VAL D  71
VAL H 120
1.09A11.82
None
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)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.07A23.34
None
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)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU B 948
LEU C 948
ILE E1151
ILE E1154
LEU C 941
LEU B 941
1.69A6.67
None
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)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU D1175
LEU B 920
ILE B 916
ILE C 916
LEU A 920
LEU F1175
1.36A7.46
ACE  B 913 ( 4.9A)
None
ACE  B 913 ( 3.9A)
ACE  C 913 ( 4.1A)
None
None
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)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		4 / 7
LEU A  96
PHE A  59
GLY A  94
ILE A 105
1.39A15.16
None
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)		2kys NSP7
(SARSr-CoV)		5 / 8
GLN A  33
ARG A  23
LEU A  30
VAL A  35
LEU A  37
1.65A10.78
None
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)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
LEU C 142
GLY C 140
THR C 120
ILE A 314
0.99A21.48
None
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)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		4 / 7
SER A 113
PHE A 112
GLY A 109
ILE A 249
1.16A23.34
None
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)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
LEU B  32
VAL B  18
VAL B 148
VAL B 157
1.11A23.59
None
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)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 113
PHE A 112
GLY A 109
ILE A 249
1.18A23.59
None
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)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
LEU A  59
LEU A 252
LEU A  89
ILE A 128
THR A  48
LEU A  50
1.49A21.28
 NA  A1295 (-4.3A)
None
None
None
None
None
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)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
LEU A  59
LEU A 252
LEU A  89
ILE A 128
THR A  48
LEU A  50
1.50A21.35
None
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)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A  62
PHE A  66
GLY A  23
THR A  24
1.18A23.38
None
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)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A  62
PHE A  66
GLY A  23
THR A  24
1.22A23.59
None
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)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.13A23.59
None
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)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A  62
PHE A  66
GLY A  23
THR A  24
1.23A23.38
None
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)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 113
PHE A 112
GLY A 109
ILE A 249
1.10A23.83
None
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)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B  32
VAL B  18
VAL B 148
VAL B 157
1.12A23.59
None
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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 113
PHE A 112
GLY A 109
ILE A 249
1.18A23.34
None
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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B 139
LEU B 141
PHE B 140
GLY B 143
1.27A23.34
None
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)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
LEU A  59
LEU A 252
LEU A  89
ILE A 128
THR A  48
LEU A  50
1.52A21.95
None
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)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 139
LEU A 141
PHE A 140
GLY A 143
1.26A22.88
None
None
None
ECC  H   5 ( 3.3A)
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)		3to2 BETA-2-MICROGLOBULIN
(Homo
sapiens)		5 / 8
ARG B  81
LEU B  40
LEU B  23
VAL B   9
VAL B  82
1.57A11.97
None
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)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B 139
LEU B 141
PHE B 140
GLY B 143
1.23A23.90
None
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)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.13A23.13
None
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)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 139
LEU A 141
PHE A 140
GLY A 143
1.25A23.13
None
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)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU B  32
VAL B  18
VAL B 148
VAL B 157
1.11A23.52
None
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)		5c5n 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
LEU A  32
VAL A  18
VAL A 148
VAL A 157
1.09A23.38
None
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)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		6 / 7
SER D 194
MET D 195
LEU D 109
PHE D 198
THR D 113
ILE D 275
1.76A23.40
None
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
SER A  15
PHE B  60
GLY B 189
ILE B 242
1.26A13.94
None
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)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
LEU D 383
PHE D 384
GLY D 333
ILE D 363
1.15A23.72
None
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)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		6 / 7
SER B 194
MET B 195
LEU B 109
PHE B 198
THR B 113
ILE B 275
1.62A23.64
None
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
SER C 500
PHE C 451
GLY A 225
ILE A 125
1.19A16.71
None
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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
GLN C 987
ARG C 982
LEU C 983
VAL C 990
1.09A16.71
None
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)		5x5c S PROTEIN
(MERS-CoV)		6 / 12
LEU B 441
LEU B 443
ILE B 573
ILE B 480
LEU B 415
THR B 412
1.47A16.48
None
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)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLN C1036
LEU C1045
LEU C 788
VAL C 860
VAL C1047
1.69A17.59
GLN  C1036 ( 0.6A)
LEU  C1045 ( 0.6A)
LEU  C 788 ( 0.6A)
VAL  C 860 ( 0.6A)
VAL  C1047 ( 0.6A)
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)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		6 / 12
LEU a  32
LEU A 920
ILE A 916
ILE C 916
LEU B 920
THR B 921
1.48A6.40
None
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)		6acj ACE2
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
PHE C 483
GLY C 488
THR D 324
ILE D 379
1.06A17.21
None
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)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLN B1036
LEU B1045
LEU B 788
VAL B 860
VAL B1047
1.56A17.21
None
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)		6ack ACE2
(Homo
sapiens)		6 / 12
LEU D 568
ASN D  90
LEU D  91
THR D  92
LEU D  95
SER D 563
1.68A21.28
None
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
GLN C1036
LEU C1045
LEU C 788
VAL C 860
VAL C1047
1.70A17.48
None
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)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE A1024
GLY A1026
THR A1048
ILE A 704
1.18A17.48
None
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)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
GLN C1036
LEU C1045
LEU C 788
VAL C 860
VAL C1047
1.64A17.30
None
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
PHE B1024
GLY B1026
THR B1048
ILE B 704
1.11A17.30
None
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)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
LEU A 963
ILE A 962
ILE A 975
ASN A 733
THR A 729
SER A 728
1.51A17.30
None
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)		6kl2 NUCLEOPROTEIN
(MERS-CoV)		4 / 7
SER A  42
PHE A 100
GLY A  62
THR A 154
1.50A14.60
None
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)		6m18 ACE2
(Homo
sapiens)		4 / 8
GLN B 524
ARG B 518
VAL B 573
LEU B 570
0.98A19.66
None
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)		6m18 ACE2
(Homo
sapiens)		6 / 12
LEU D 568
ASN D  90
LEU D  91
THR D  92
LEU D  95
SER D 563
1.64A19.66
None
NAG  D 903 (-1.9A)
None
NAG  D 903 ( 4.8A)
None
None
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)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		6 / 12
LEU A  85
LEU A  86
LEU A 286
ASN A 435
LEU A 494
PHE A 276
1.65A21.95
None
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 8
LEU C 427
VAL C 233
LEU C 234
VAL C 317
VAL C  50
1.48A21.95
None
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)		6m1d ACE2
(Homo
sapiens)		4 / 7
MET D  62
LEU D  45
GLY D 352
ILE D 379
1.14A19.66
None
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
SER A 291
GLY A 215
THR A 212
ILE A 462
0.95A21.95
None
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)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
GLN A1036
LEU A1045
LEU A 788
VAL A 860
VAL A1047
1.68A17.18
None
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)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE A1024
GLY A1026
THR A1048
ILE A 704
1.13A17.18
None
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)		6nus NSP12
(SARSr-CoV)		6 / 12
LEU A 891
ILE A 856
ASN A 912
LEU A 908
THR A 909
LEU A 885
1.39A20.39
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 178
VAL H 181
LEU H 124
VAL H 169
1.69A16.82
GOL  L 301 (-4.9A)
None
None
GOL  L 301 (-4.5A)
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)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
LEU H 178
VAL L 133
VAL H 163
VAL H 152
1.74A16.82
GOL  L 301 (-4.9A)
None
None
None
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)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
LEU L   4
PHE L  98
GLY L 101
THR L 102
1.41A14.89
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 8
GLN L 124
VAL H 121
LEU H 124
VAL L 133
VAL H 169
1.67A14.89
None
None
None
None
GOL  L 301 (-4.5A)
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)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L  78
ASN L  22
THR L  72
LEU L  73
PHE L  62
1.69A14.89
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
GLN H 192
LEU H 159
VAL H 184
VAL H 211
1.55A16.82
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
LEU H 178
VAL L 133
LEU L 135
VAL H 152
1.45A16.82
GOL  L 301 (-4.9A)
None
None
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 8
GLN L 124
LEU L 125
VAL L 132
LEU H 124
1.74A14.89
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 8
LEU H 178
LEU H 124
VAL H 181
VAL H 152
1.79A16.82
GOL  L 301 (-4.9A)
None
None
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 7
SER H 177
LEU H 141
GLY H 139
ILE L 117
1.71A16.82
GOL  L 301 (-3.1A)
None
None
None
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
LEU H 175
PHE H 146
GLY H 118
THR H 205
1.66A16.82
None
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)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
PHE L 209
ASN L 158
LEU L 179
THR L 180
SER L 131
1.80A14.89
None
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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER B 181
LEU B 145
GLY B 143
ILE C 123
1.64A
None
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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
LEU H 182
VAL L 139
LEU L 141
VAL H 156
1.45A
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
LEU B 179
PHE B 150
GLY B 122
THR B 209
1.72A
None
MLI  B 301 ( 4.1A)
None
None
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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER H 181
LEU H 145
GLY H 143
ILE L 123
1.65A
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
LEU H 179
PHE H 150
GLY H 122
THR H 209
1.67A
MLI  H 301 ( 4.9A)
MLI  H 301 ( 4.7A)
None
None
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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
LEU B 182
VAL C 139
LEU C 141
VAL B 156
1.45A
None
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)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU C   4
PHE C 104
GLY C 107
THR C 108
1.45A
None
None
1PE  C 301 (-3.7A)
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLN B 196
LEU B 163
VAL B 188
VAL B 215
1.44A
None
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)		6yla LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L   4
PHE L 104
GLY L 107
THR L 108
1.45A
None
None
1PE  L1603 (-4.3A)
None
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)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
SER B  17
GLY H 161
THR H 164
ILE B  76
1.42A
None
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)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 7
SER H 181
LEU H 145
GLY H 143
ILE L 123
1.71A
None
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)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 8
LEU H 182
VAL L 139
LEU L 141
VAL H 156
1.36A
None
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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 8
GLN H 196
LEU H 163
VAL H 188
VAL H 215
1.45A
None
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)		6ym0 LIGHT CHAIN
(Homo
sapiens)		4 / 7
LEU L   4
PHE L 104
GLY L 107
THR L 108
1.51A
None
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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		4 / 7
LEU H 179
PHE H 150
GLY H 122
THR H 209
1.67A
None
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)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU C   4
PHE C 104
GLY C 107
THR C 108
1.45A
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
LEU B 179
PHE B 150
GLY B 122
THR B 209
1.67A
None
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)		6yor IGG L CHAIN
(Homo
sapiens)		4 / 7
LEU L   4
PHE L 104
GLY L 107
THR L 108
1.45A
None
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
LEU B 182
VAL C 139
LEU C 141
VAL B 156
1.45A
None
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
SER H 181
LEU H 145
GLY H 143
ILE L 123
1.65A
None
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 8
LEU H 182
VAL L 139
LEU L 141
VAL H 156
1.46A
None
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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 7
SER B 181
LEU B 145
GLY B 143
ILE C 123
1.65A
None
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)		6yor IGG H CHAIN
(Homo
sapiens)		4 / 7
LEU H 179
PHE H 150
GLY H 122
THR H 209
1.67A
None