Ligand ID: RAV


Drugbank ID:
DB00312
(Pentobarbital)


Indication:
For the short-term treatment of insomnia.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'RAV' 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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 6
SER B 123
TYR B 118
ALA B 116
ARG A 298
1.37A19.53
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU B 106
SER B 105
ALA A 108
LEU B 112
1.23A22.62
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		1uk4 3C-LIKE PROTEINASE
5-MER PEPTIDE OF
INHIBITOR
(SARSr-CoV)		4 / 6
LEU H   4
SER H   2
ALA B 191
ARG B 188
1.28A6.58
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		1z1i 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.32A18.39
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.44A19.59
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU C 102
ALA C 140
ARG C 141
LEU C 119
1.20A21.14
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3bgf F26G19 FAB
(Mus
musculus)		4 / 6
LEU C  47
SER C  34
ARG C  46
LEU C  73
1.43A22.86
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 6
LEU A 278
SER A 280
TYR A 279
LEU A 444
1.32A14.74
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.36A17.70
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
LEU A  87
TYR A  37
ARG A  40
LEU A  89
1.46A18.39
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3e9s NSP3
(SARSr-CoV)		4 / 6
LEU A 102
ALA A 140
ARG A 141
LEU A 119
1.28A22.02
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LEU C  42
TYR C  31
ARG C  99
LEU C   9
1.41A22.67
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LEU A 102
ALA A 140
ARG A 141
LEU A 119
1.23A21.15
None
None
NHE  A 404 (-3.7A)
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		4ovz PAPAIN-LIKE
PROTEINASE
(SARS-COV
Urbani)		4 / 6
LEU B 102
ALA B 140
ARG B 141
LEU B 119
1.19A21.25
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU A 173
TYR A 137
ALA A 130
LEU A 121
1.39A21.28
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
LEU D 102
ALA D 140
ARG D 141
LEU D 119
1.14A22.02
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
LEU B 983
SER B 985
ARG B 982
LEU B 745
1.40A9.31
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		5x5f S PROTEIN
(MERS-CoV)		4 / 6
LEU A 456
SER A 460
ALA A 461
LEU A 479
1.46A8.42
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		5y3e REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
LEU A 102
ALA A 140
ARG A 141
LEU A 119
1.11A21.36
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6acj ACE2
(Homo
sapiens)		4 / 6
SER D  43
TYR D  41
ALA D  65
LEU D 351
1.39A14.59
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
LEU A 986
SER A 985
TYR A 989
ARG A 982
1.37A9.38
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 6
LEU C  10
TYR A 118
ALA A 139
LEU A  95
1.44A17.07
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6m1d ACE2
(Homo
sapiens)		4 / 6
LEU B 278
SER B 280
TYR B 279
LEU B 444
1.22A12.55
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
LEU C 986
SER C 985
TYR C 989
ARG C 982
1.37A9.42
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6nur NSP12
(SARSr-CoV)		4 / 6
LEU A 131
ALA A 784
ARG A 132
LEU A 142
1.20A12.18
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6vw1 ACE2
(Homo
sapiens)		4 / 6
LEU A 278
SER A 280
TYR A 279
LEU A 444
1.46A14.74
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
LEU H 141
SER L 131
ALA L 130
LEU H 124
1.56A20.86
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 6
LEU L  78
SER L  77
ARG L  61
LEU L  15
1.78A18.89
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU H 145
SER L 137
ALA L 136
LEU H 128
1.58A
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU B 145
SER C 137
ALA C 136
LEU B 128
1.56A
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 6
LEU H 145
SER L 137
ALA L 136
LEU H 128
1.56A
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU B 145
SER C 137
ALA C 136
LEU B 128
1.59A
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.
3RAV_A_RAVA183_1
(FERRITIN LIGHT CHAIN)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 6
LEU H 145
SER L 137
ALA L 136
LEU H 128
1.58A
None