Ligand ID: H8J


Drugbank ID:
DB00247
(Methysergide)


Indication:
For the treatment of vascular headache

Get human targets for H8J in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'H8J' 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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.59A20.09
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
VAL A 102
SER A 105
LEU A  88
PHE A  90
GLY B 100
VAL A 110
1.64A14.99
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B1042
THR B1025
LEU B1089
PHE B1066
GLY B1023
VAL B1018
1.46A20.73
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.54A20.96
None
9IN  A1001 (-4.0A)
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 207
THR H 205
VAL H 211
GLY H 118
VAL H 152
1.06A19.70
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.62A21.14
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
VAL A  42
THR A  25
LEU A  89
GLY A  23
VAL A  18
1.21A20.49
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.56A20.73
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.58A20.05
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.53A20.05
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B  42
THR B  25
LEU B  89
PHE B  66
GLY B  23
VAL B  18
1.57A21.12
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.61A21.80
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL B  42
THR B  25
LEU B  89
PHE B  66
GLY B  23
1.19A20.49
None
010  F   6 (-3.1A)
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL B  42
THR B  25
LEU B  89
PHE B  66
GLY B  23
VAL B  18
1.67A20.20
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
VAL A  42
THR A  25
LEU A  89
GLY A  23
VAL A  18
1.23A20.67
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.64A21.19
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
VAL A  42
THR A  25
LEU A  89
PHE A  66
GLY A  23
VAL A  18
1.58A20.75
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		5x5c S PROTEIN
(MERS-CoV)		6 / 12
VAL C1124
SER C1125
LEU C 871
PHE C1001
GLY C1140
VAL C1128
1.50A16.07
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
VAL B 498
LEU B 499
PHE B 325
GLY B 512
PHE B 379
VAL B 369
1.63A17.89
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
THR C 236
VAL C  80
PHE C  76
PHE C  22
ASN C 135
TYR C 252
1.77A17.75
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 221
THR H 219
VAL H 225
GLY H 132
VAL H 166
1.06A18.93
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL H 182
THR H 183
VAL H 198
PHE L 118
VAL H 211
1.66A17.24
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 207
THR H 205
VAL H 211
GLY H 118
VAL H 152
1.01A17.24
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL L 163
LEU L 136
PHE L 139
ASN L 137
VAL H 181
1.65A16.99
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 184
THR H 183
GLY H 162
ASN H 155
VAL H 211
1.68A17.24
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 211
THR H 209
VAL H 215
GLY H 122
VAL H 156
1.17A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
THR H 187
VAL H 202
PHE L 124
VAL H 215
1.64A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 188
THR H 187
GLY H 166
ASN H 159
VAL H 215
1.66A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 211
THR B 209
VAL B 215
GLY B 122
VAL B 156
1.15A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
THR B 187
VAL B 202
PHE C 124
VAL B 215
1.62A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 169
LEU L 142
PHE L 145
ASN L 143
VAL H 185
1.65A19.23
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 211
THR H 209
VAL H 215
GLY H 122
VAL H 156
1.12A17.27
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
THR H 187
VAL H 202
PHE L 124
VAL H 215
1.63A17.27
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 188
THR H 187
GLY H 166
ASN H 159
VAL H 215
1.66A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
THR H 187
VAL H 202
PHE L 124
VAL H 215
1.64A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
THR B 187
VAL B 202
PHE C 124
VAL B 215
1.65A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL C 169
LEU C 142
PHE C 145
ASN C 143
VAL B 185
1.65A19.23
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL L 169
LEU L 142
PHE L 145
ASN L 143
VAL H 185
1.64A19.23
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 211
THR B 209
VAL B 215
GLY B 122
VAL B 156
1.17A17.52
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.
6DRZ_A_H8JA1206_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 211
THR H 209
VAL H 215
GLY H 122
VAL H 156
1.17A17.52
None