Ligand ID: 29Q


Drugbank ID:
DB00579
(Mazindol)


Indication:
Used in short-term (a few weeks) treatment of exogenous obesity in conjunction with a regimen of weight reduction based on caloric restriction, exercise, and behavior modification in patients with a body mass index of 30 kg of body weight per height in meters squared (kg/m2) or in patients with a body mass index of 27 kg/m2 in the presence of risk factors such as hypertension, diabetes, or hyperlipidemia.

Get human targets for 29Q in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '29Q' 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.
4MMF_A_29QA603_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR C  84
VAL C  12
ALA C  69
TYR C  72
PHE C  57
1.56A22.24
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.
4MME_A_29QA603_1
(TRANSPORTER)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR C  84
VAL C  12
ALA C  69
TYR C  72
PHE C  57
1.63A22.24
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.
4MMF_A_29QA603_1
(TRANSPORTER)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
ASP C 480
ALA D 166
GLY D 200
PHE D 203
SER D 224
1.67A14.84
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.
4MME_A_29QA603_1
(TRANSPORTER)		2ghw ANTI-SCFV ANTIBODY,
80R
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		5 / 9
ASP C 480
ALA D 166
GLY D 200
PHE D 203
SER D 224
1.61A14.97
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.
4MME_A_29QA603_1
(TRANSPORTER)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR A 583
ASP A 552
VAL A 611
SER A 585
GLY A 609
1.68A16.57
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.
4MMF_A_29QA603_1
(TRANSPORTER)		2jze REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR A 583
ASP A 552
VAL A 611
SER A 585
GLY A 609
1.66A16.57
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.
4MMF_A_29QA603_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
ASP E 282
VAL F 162
ALA F 160
GLY E 243
GLY F 169
1.79A21.01
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.
4MME_A_29QA603_1
(TRANSPORTER)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
ASP E 282
VAL F 162
ALA F 160
GLY E 243
GLY F 169
1.72A21.18
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.
4MME_A_29QA603_1
(TRANSPORTER)		2wct NSP3
(SARSr-CoV)		5 / 9
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.72A18.70
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.
4MMF_A_29QA603_1
(TRANSPORTER)		2wct NSP3
(SARSr-CoV)		5 / 9
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.69A16.57
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.
4MME_A_29QA603_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.64A22.20
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.
4MMF_A_29QA603_1
(TRANSPORTER)		3e9s NSP3
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.60A22.20
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.
4MME_A_29QA603_1
(TRANSPORTER)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 216
ALA B 140
GLY A 283
PHE A   3
GLY A   2
1.47A20.86
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.
4MMF_A_29QA603_1
(TRANSPORTER)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
ASP A 216
ALA B 140
GLY A 283
PHE A   3
GLY A   2
1.59A20.83
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.
4MME_A_29QA603_1
(TRANSPORTER)		3i6g HLA, A-2
(Homo
sapiens)		5 / 9
ASP D 183
ALA D 205
GLY D 239
PHE D 241
SER D 207
1.73A17.36
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.
4MMF_A_29QA603_1
(TRANSPORTER)		3i6g HLA, A-2
(Homo
sapiens)		5 / 9
ASP D 183
ALA D 205
GLY D 239
PHE D 241
SER D 207
1.76A18.01
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.
4MMF_A_29QA603_1
(TRANSPORTER)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.58A22.20
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.
4MME_A_29QA603_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.64A21.83
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.
4MMF_A_29QA603_1
(TRANSPORTER)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.59A21.87
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.
4MME_A_29QA603_1
(TRANSPORTER)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.66A22.20
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.
4MMF_A_29QA603_1
(TRANSPORTER)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.57A22.20
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.
4MME_A_29QA603_1
(TRANSPORTER)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.61A22.16
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.
4MME_A_29QA603_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.52A22.08
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.
4MMF_A_29QA603_1
(TRANSPORTER)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
TYR D  84
VAL D  12
ALA D  69
TYR D  72
PHE D  57
1.45A22.08
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.
4MMF_A_29QA603_1
(TRANSPORTER)		5x5c S PROTEIN
(MERS-CoV)		5 / 9
VAL C 374
ALA C 597
GLY C 615
PHE C 617
GLY C 372
1.57A17.61
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.
4MME_A_29QA603_1
(TRANSPORTER)		5x5c S PROTEIN
(MERS-CoV)		5 / 9
VAL C 374
ALA C 597
GLY C 615
PHE C 617
GLY C 372
1.62A17.67
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.
4MME_A_29QA603_1
(TRANSPORTER)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASP C 961
VAL A 369
ALA A 371
GLY A 531
SER C 964
1.79A17.24
ASP  C 961 ( 0.5A)
VAL  A 369 ( 0.6A)
ALA  A 371 ( 0.0A)
GLY  A 531 ( 0.0A)
SER  C 964 ( 0.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMF_A_29QA603_1
(TRANSPORTER)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.58A22.30
None
None
None
NA  A 405 (-4.9A)
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.
4MME_A_29QA603_1
(TRANSPORTER)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.62A22.26
None
None
None
NA  A 406 (-4.9A)
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.
4MME_A_29QA603_1
(TRANSPORTER)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
TYR A 660
VAL A 642
ALA A 676
TYR A 677
SER A 659
1.31A17.24
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.
4MMF_A_29QA603_1
(TRANSPORTER)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
TYR A 660
VAL A 642
ALA A 676
TYR A 677
SER A 659
1.26A17.14
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.
4MMF_A_29QA603_1
(TRANSPORTER)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ASP B 351
ALA B 371
GLY B 326
PHE B 329
SER B 353
1.52A17.32
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.
4MME_A_29QA603_1
(TRANSPORTER)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 9
ASP B 351
ALA B 371
GLY B 326
PHE B 329
SER B 353
1.54A17.42
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.
4MME_A_29QA603_1
(TRANSPORTER)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 9
VAL A 125
TYR A 129
PHE A 283
SER A 431
GLY A 434
1.60A26.79
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.
4MMF_A_29QA603_1
(TRANSPORTER)		6m1d ACE2
(Homo
sapiens)		5 / 9
ASP D 509
VAL D 184
TYR D 183
GLY D 200
PHE D 464
1.74A20.92
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.
4MME_A_29QA603_1
(TRANSPORTER)		6m1d ACE2
(Homo
sapiens)		5 / 9
ASP D 509
VAL D 184
TYR D 183
GLY D 200
PHE D 464
1.76A21.02
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.
4MMF_A_29QA603_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.53A16.91
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.
4MME_A_29QA603_1
(TRANSPORTER)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 9
ASP A 376
VAL A 314
GLY A 512
PHE A 316
GLY A 531
1.52A17.02
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.
4MME_A_29QA603_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.51A20.42
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.
4MMF_A_29QA603_1
(TRANSPORTER)		6nur NSP12
(SARSr-CoV)		5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.39A20.44
None