Ligand ID: H8D


Drugbank ID:
DB00353
(Methylergometrine)


Indication:
For the prevention and control of excessive bleeding following vaginal childbirth

Get human targets for H8D in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'H8D' 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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		1x7q HLA, A-11
(Homo
sapiens)		5 / 11
ASP A  29
VAL A  28
LEU A 172
ALA A  49
TYR A 209
1.58A17.51
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL S 420
LEU S 421
ALA S 350
PHE S 501
VAL S 369
1.58A18.80
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR B  91
LEU B 133
ALA B 146
VAL B 117
TYR B 113
1.59A20.19
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 11
VAL F 275
SER F 273
THR F 274
ALA F 325
VAL D  35
1.31A20.95
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3bgf F26G19 FAB
SPIKE PROTEIN S1
(Mus
musculus;
SARSr-CoV)		5 / 11
ASP S 393
VAL S 394
ALA S 422
GLN H  99
TYR S 481
1.58A18.00
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3e9s NSP3
(SARSr-CoV)		5 / 11
THR A  91
LEU A 133
ALA A 146
VAL A 117
TYR A 113
1.58A19.66
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
VAL B 204
VAL B 261
LEU B 250
ALA B 291
VAL B 212
1.60A19.81
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3i6g HLA, A-2
(Homo
sapiens)		5 / 11
ASP A  29
VAL A  28
LEU A 172
ALA A  49
TYR A 209
1.47A20.00
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3i6l HLA, A-24
(Homo
sapiens)		5 / 11
ASP D  29
VAL D  28
LEU D 172
ALA D  49
TYR D 209
1.56A19.81
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL F 420
THR F 363
VAL F 382
ALA F 422
PHE F 329
1.59A17.77
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
THR A  91
LEU A 133
ALA A 146
VAL A 117
TYR A 113
1.59A19.38
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		5 / 11
THR B  91
LEU B 133
ALA B 146
VAL B 117
TYR B 113
1.55A20.14
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
VAL D 317
SER D 319
VAL D 398
LEU D 383
ALA D 344
1.62A21.52
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ASP C 385
VAL C 498
SER C 386
LEU C 412
ALA C 422
1.52A17.89
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 11
VAL A  47
VAL A  24
LEU A  27
ALA A  40
VAL E  58
1.54A12.70
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
VAL B 420
LEU B 421
ALA B 350
PHE B 501
VAL B 369
1.43A17.70
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x5f S PROTEIN
(MERS-CoV)		5 / 11
VAL B 263
THR B 259
VAL B 170
LEU B 171
PHE B 112
1.54A15.99
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
THR A  91
LEU A 133
ALA A 146
VAL A 117
TYR A 113
1.52A19.66
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
VAL C 601
SER C 577
LEU C 597
ALA C 609
GLN C 301
1.43A17.89
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
VAL B 420
THR B 363
ALA B 422
PHE B 329
TYR B 352
1.34A17.91
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens)		5 / 11
ASP A  29
VAL A  28
LEU A 172
ALA A  49
TYR A 209
1.57A19.42
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
VAL C 320
SER C 323
VAL C 233
LEU C 234
PHE C 403
1.41A20.66
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6nur NSP12
(SARSr-CoV)		5 / 11
THR A 687
VAL A 700
ALA A 688
PHE A 480
VAL A 637
1.59A17.99
None