Ligand ID: H8G


Drugbank ID:
DB00589
(Lisuride)


Indication:
For the management of Parkinson's Disease

Get human targets for H8G in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'H8G' 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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL S 420
THR S 363
PHE S 387
ALA S 422
PHE S 329
1.51A18.85
None
None
None
None
NAG  S1330 (-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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 420
THR C 363
ALA C 422
PHE C 329
TYR C 352
1.61A18.32
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
VAL F 275
SER F 273
THR F 274
ALA F 325
VAL D  35
1.36A22.48
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU A 570
VAL A 573
ALA A 550
VAL A 404
TYR A 381
1.53A20.13
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL F 382
PHE F 501
ALA F 350
PHE F 329
VAL F 328
1.61A17.47
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3scj ACE2
(Homo
sapiens)		5 / 12
LEU A 570
VAL A 573
ALA A 550
VAL A 404
TYR A 381
1.50A20.26
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 382
PHE B 501
ALA B 350
PHE B 329
VAL B 328
1.62A17.89
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
VAL C 711
SER C1003
PHE C 764
ALA C1008
VAL C 708
1.38A17.70
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
LEU C 952
ALA C 973
PHE C1001
ASN C1002
VAL C1139
1.62A14.07
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL B 382
PHE B 501
ALA B 350
PHE B 329
VAL B 328
1.46A17.89
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL C 711
SER C1003
PHE C 764
ALA C1008
PHE C1044
1.51A17.65
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
VAL C 711
SER C1003
PHE C 764
ALA C1008
PHE C1044
1.39A17.91
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6lzg ACE2
(Homo
sapiens)		5 / 12
LEU A 570
VAL A 573
ALA A 550
VAL A 404
TYR A 381
1.52A20.33
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
LEU A 286
SER A 122
THR A 121
ALA A 117
VAL A 441
1.44A20.42
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 711
SER C1003
PHE C 764
ALA C1008
VAL C 708
1.41A17.11
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6nus NSP12
(SARSr-CoV)		5 / 12
LEU A 786
SER A 778
ALA A 706
PHE A 753
VAL A 764
1.53A18.32
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.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL F 395
PHE F 515
ALA F 363
PHE F 342
VAL F 341
1.53A17.51
None
None
None
NAG  F 601 (-4.8A)
None