Ligand ID: AY6


Drugbank ID:
DB06155
(Rimonabant)


Indication:
For use in conjunction with diet and exercise for patients with a body mass index greater than 30 kg/m2, or patients wih a BMI greater than 27 kg/m2 with associated risk factors, such as type 2 diabetes or dyslipidaemia.

Get human targets for AY6 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'AY6' 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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
LEU B 268
VAL B 261
LEU B 262
VAL B 233
ALA B 234
LEU B 242
1.68A15.85
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.59A16.04
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
ILE B  45
ILE A  45
VAL A  95
LEU B  47
ALA B  97
LEU B  53
1.23A6.24
None
None
D10  B1099 ( 4.8A)
None
None
D10  B1099 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
ILE G  45
ILE H  45
VAL H  95
LEU G  47
ALA G  97
LEU G  53
1.17A6.24
D10  H1099 ( 4.6A)
D10  H1099 ( 4.5A)
D10  H1099 ( 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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
ILE F  45
ILE E  45
VAL E  95
LEU F  47
ALA F  97
LEU F  53
1.18A6.24
D10  F1099 ( 4.8A)
D10  F1099 ( 4.5A)
D10  F1099 (-4.9A)
None
None
D10  F1099 ( 4.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		6 / 12
ILE A  45
ILE B  45
VAL B  95
LEU A  47
ALA A  97
LEU A  53
1.17A6.13
None
None
D10  B1099 ( 4.9A)
None
None
D10  B1099 ( 4.6A)
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 268
VAL A 261
LEU A 262
VAL A 233
ALA A 234
LEU A 242
1.55A15.81
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.59A15.70
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2kqw NSP3
(SARSr-CoV)		6 / 12
VAL A 187
LEU A 188
VAL A 171
LEU A 197
TYR A 147
LEU A 196
1.70A11.18
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2kys NSP7
(SARSr-CoV)		6 / 12
LEU A  73
ILE A  41
VAL A  55
LEU A  61
VAL A  18
LEU A  58
1.57A6.90
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		6 / 12
VAL B 320
ILE B 322
VAL B 275
PHE B 203
LEU B 250
LEU B 248
1.64A17.43
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.58A15.79
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 268
VAL A 261
LEU A 262
VAL A 233
ALA A 234
LEU A 242
1.67A15.83
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 268
VAL A 261
LEU A 262
VAL A 233
ALA A 234
LEU A 242
1.73A16.28
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2w2g NSP3
(SARSr-CoV)		6 / 12
LEU A 504
ILE A 459
VAL A 457
LEU A 413
VAL A 513
LEU A 412
1.54A14.25
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		6 / 12
VAL A  67
ILE A 167
ILE A 128
LEU A  57
ALA A  60
LEU A  59
1.58A13.81
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B 212
ILE B 281
LEU B 268
TYR B 239
ALA B 206
LEU B 205
1.48A15.70
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.54A15.76
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.61A15.92
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B 212
ILE B 281
LEU B 268
TYR B 239
ALA B 206
LEU B 205
1.58A15.92
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3fzd 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.55A15.83
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3i6k BETA-2-MICROGLOBULIN
(Homo
sapiens)		6 / 12
VAL F   9
ILE F  92
ILE F   7
VAL F  37
LEU F  40
LEU F  39
1.68A6.79
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B 212
ILE D 281
LEU D 268
TYR D 239
ALA B 206
LEU B 205
1.53A15.81
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.61A15.92
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B 212
ILE B 281
LEU B 268
TYR B 239
ALA B 206
LEU B 205
1.56A15.81
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.50A16.38
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		4m0w UBIQUITIN
(Bos
taurus)		6 / 12
VAL B  17
ILE B  23
ILE B   3
VAL B   5
LEU B  69
ALA B  28
1.68A5.92
None
None
None
None
None
GOL  B 101 (-3.6A)
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		6 / 12
LEU A 151
ILE A 149
VAL A 173
LEU A 169
TYR A 112
ALA A 154
1.62A16.32
None
PO4  A 402 (-4.8A)
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.60A16.65
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		6 / 12
ILE B 166
ILE B 164
PHE B 183
LEU B 109
VAL B 118
ALA B 119
1.68A20.16
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		5e6j UBIQUITIN
(synthetic
construct)		6 / 12
VAL B  17
ILE B  61
ILE B   3
VAL B   5
LEU B  50
LEU B  43
1.51A6.31
None
None
None
None
5MW  B  48 ( 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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
VAL D 189
VAL D 221
LEU D 217
TYR D 214
LEU D 235
VAL D 185
1.59A16.42
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		6 / 12
ILE B 166
ILE B 164
PHE B 183
LEU B 109
VAL B 118
ALA B 119
1.69A20.16
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
VAL C 510
ILE C 345
LEU C 421
PHE C 387
VAL C 369
ALA C 371
1.70A21.98
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6jyt HELICASE
(SARSr-CoV)		6 / 12
VAL B 397
ILE B 376
PHE B 422
LEU B 384
VAL B 387
LEU B 240
1.33A21.35
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6m1d ACE2
(Homo
sapiens)		6 / 12
VAL B 244
LEU B 240
PHE B 285
LEU B 440
ALA B 443
LEU B 444
1.55A21.66
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6nur NSP7
NSP8
(SARSr-CoV)		6 / 12
VAL C  58
LEU C  59
ILE D 106
ILE D 119
LEU D  95
LEU C  13
1.70A6.60
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6nus NSP12
(SARSr-CoV)		6 / 12
VAL A 315
LEU A 316
LEU A 241
TYR A 237
LEU A 186
ALA A 250
1.40A22.27
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
ILE L  21
VAL L  85
LEU L  11
VAL L  13
ALA L  12
1.73A9.81
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H 159
ILE H 195
VAL H 211
VAL H 163
LEU H 138
1.68A10.57
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.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 211
LEU H 138
LEU L 135
VAL H 184
ALA H 136
1.52A10.57
None