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-COV-2 / COVID-19 STRUCTURES

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)
6m71 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.42A20.25
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.
4MME_B_29QB603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
VAL A  42
ALA A  43
PHE A  48
SER A 709
GLY A  44
1.54A20.17
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_B_29QB603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
VAL A 880
ALA A 878
TYR A 877
PHE A 428
SER A 434
1.75A20.17
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_B_29QB603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.45A20.25
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.
4MME_A_29QA603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.51A20.17
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_B_29QB603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
VAL A  96
ALA A  97
TYR A 217
GLY A 220
PHE A 219
1.62A20.17
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_B_29QB603_1
(TRANSPORTER)
6m71 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.48A20.17
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)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.40A18.42
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)
6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.46A18.87
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)
6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.51A18.43
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.
4MMF_A_29QA603_1
(TRANSPORTER)
6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP B  53
VAL B  36
ALA B 222
TYR B  37
PHE B 275
1.41A18.41
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)
6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP C  53
VAL C  36
ALA C 222
TYR C  37
PHE C 275
1.38A18.41
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)
6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)
5 / 9
ASP C  53
VAL C  36
ALA C 222
TYR C  37
PHE C 275
1.46A18.43
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.
4MMF_A_29QA603_1
(TRANSPORTER)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 9
ASP C  81
ALA B 173
TYR B 172
GLY B  60
SER C  79
1.75A12.08
None
None
None
None
ZN  C 201 (-3.5A)
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.
4MME_A_29QA603_1
(TRANSPORTER)
6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)
5 / 9
ASP C  81
ALA B 173
TYR B 172
GLY B  60
SER C  79
1.79A13.36
None
None
None
None
ZN  C 201 (-3.5A)
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.
4MME_B_29QB603_1
(TRANSPORTER)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A  96
ALA A  97
TYR A 217
GLY A 220
PHE A 219
1.64A20.17
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)
7btf NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.54A20.17
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_B_29QB603_1
(TRANSPORTER)
7btf NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.52A20.25
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.
4MME_B_29QB603_1
(TRANSPORTER)
7btf NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.52A20.17
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)
7btf NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.48A20.25
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.
4MME_B_29QB603_1
(TRANSPORTER)
7btf NSP12
(SARS-CoV-2)
5 / 9
VAL A  42
ALA A  43
PHE A  48
SER A 709
GLY A  44
1.44A20.17
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_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
VAL A 880
ALA A 878
TYR A 877
PHE A 428
SER A 434
1.78A20.04
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.
4MME_A_29QA603_1
(TRANSPORTER)
7bv1 NSP12
NSP7
(SARS-CoV-2)
5 / 9
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
1.61A10.39
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.
4MMF_A_29QA603_1
(TRANSPORTER)
7bv1 NSP12
NSP7
(SARS-CoV-2)
5 / 9
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
1.68A10.39
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.
4MME_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
NSP7
(SARS-CoV-2)
5 / 9
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
1.63A10.39
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.
4MME_A_29QA603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.49A20.04
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.
4MMF_A_29QA603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.41A20.17
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_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
NSP7
(SARS-CoV-2)
5 / 9
ASP C   5
VAL A 424
ALA A 423
TYR A 420
SER C   4
1.67A10.39
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.
4MMF_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.45A20.17
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_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
VAL A  42
ALA A  43
PHE A  48
SER A 709
GLY A  44
1.51A20.04
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.
4MME_B_29QB603_1
(TRANSPORTER)
7bv1 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.46A20.04
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.
4MME_B_29QB603_1
(TRANSPORTER)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.54A20.04
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.
4MMF_A_29QA603_1
(TRANSPORTER)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.49A20.17
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_B_29QB603_1
(TRANSPORTER)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.54A20.17
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_B_29QB603_1
(TRANSPORTER)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
VAL A  42
ALA A  43
PHE A  48
SER A 709
GLY A  44
1.48A20.04
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.
4MME_A_29QA603_1
(TRANSPORTER)
7bv2 NSP12
(SARS-CoV-2)
5 / 9
ASP A 717
VAL A 776
ALA A 771
TYR A 770
GLY A 774
1.57A20.04
None