Ligand ID: OHB


Drugbank ID:
DB08797
(Salicylamide)


Indication:
Salicylamide is the common name for the substance o-hydroxybenzamide, or amide of salicyl. Salicylamide is a non-prescription drug with analgesic and antipyretic properties. Its medicinal uses are similar to those of aspirin. Salicylamide is used in combination with both aspirin and caffeine in the over-the-counter pain remedies

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'OHB' 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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
GLU A  14
SER A 121
PRO B   9
SER A 123
1.52A17.78
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
GLU B1014
SER B1121
PRO A   9
SER B1123
1.68A18.34
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 5
GLU E 341
SER E 386
ARG E 453
PRO E 335
1.80A13.02
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 5
GLU B  14
SER B 121
PRO A   9
SER B 123
1.65A16.72
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		2qc2 3C-LIKE PROTEINASE
(-)		4 / 5
GLU A  14
SER A 121
PRO B   9
SER A 123
1.71A19.21
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 5
GLU B  14
SER B 121
PRO A   9
SER B 123
1.38A16.87
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		2w2g NSP3
(SARSr-CoV)		4 / 5
GLU A 535
SER A 634
ARG A 534
SER A 530
1.64A16.84
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		3e91 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
GLU A  14
SER A 121
PRO B   9
SER A 123
1.64A19.21
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
GLU B  14
SER B 121
PRO A   9
SER B 123
1.48A18.50
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
GLU B  14
SER B 121
PRO A   9
SER B 123
1.42A18.34
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		3to2 MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 5
GLU A  19
SER A  71
PRO A  20
SER A  11
1.70A16.14
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
GLU A 264
SER A 116
ARG A 285
SER A 112
1.72A18.97
None
NA  A 402 (-2.8A)
None
NA  A 402 (-4.3A)
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
GLU C 341
SER C 386
ARG C 453
PRO C 335
1.80A20.32
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
GLU C 502
SER C 380
ARG C 342
PRO A 223
1.65A21.46
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		6jyt HELICASE
(SARSr-CoV)		4 / 5
GLU B 136
SER B 385
ARG B  21
SER B 236
1.72A22.92
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 5
GLU C 165
SER C 169
ARG C 178
PRO C 565
1.22A23.27
None
None
NAG  C 702 ( 4.7A)
None