Ligand ID: OIN


Drugbank ID:
DB00424
(Hyoscyamine)
DB00572
(Atropine)


Indication:
For treatment of bladder spasms, peptic ulcer disease, diverticulitis, colic, irritable bowel syndrome, cystitis, and pancreatitis. Also used to treat certain heart conditions, to control the symptoms of Parkinson's disease and rhinitis.;For the treatment of poisoning by susceptible organophosphorous nerve agents having anti-cholinesterase activity (cholinesterase inhibitors) as well as organophosphorous or carbamate insecticides.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'OIN' AND SARS-COV-2 / COVID-19 STRUCTURES

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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU C 560
PHE C 559
ILE C 584
GLY A 283
TYR A  38
1.72A7.23
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU C 560
PHE C 559
ILE C 584
GLY A 283
TYR A  38
1.58A7.24
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU C 560
PHE C 559
ILE C 584
GLY A 283
TYR A  38
1.55A7.33
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 147
HIS A 145
ASP A 144
PRO D 106
1.62A24.46
None
ZN  A 204 ( 3.3A)
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 7
GLY A 147
HIS A 145
ASP A 144
PRO D 106
1.62A24.46
None
ZN  A 204 ( 3.3A)
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6w01 URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 9
LEU A 300
PHE A 303
ILE A 236
GLY A 254
LYS A 257
1.79A15.16
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6w4b NSP9
(SARS-CoV-2)		4 / 7
GLY B  18
TRP B  54
TYR B  90
PRO B  73
1.39A20.90
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6w4b NSP9
(SARS-CoV-2)		4 / 7
GLY B  18
TRP B  54
TYR B  90
PRO B  73
1.39A20.90
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.51A21.90
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6w9q 3C-LIKE PROTEINASE
PEPTIDE, NSP9 FUSION
(SARS-CoV-2)		4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.51A21.90
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
HIS C  59
ASP D  81
TYR C 172
LYS C 169
1.80A24.46
 ZN  D 202 (-3.2A)
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
GLY B 147
HIS B 145
ASP B 144
PRO A 106
1.66A24.46
None
ZN  B 202 (-3.3A)
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
GLY B 147
HIS B 145
ASP B 144
PRO A 106
1.66A24.46
None
ZN  B 202 (-3.3A)
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
GLY E 329
ASP C  66
PRO E 527
LYS E 528
1.75A19.23
NAG  E 906 ( 4.2A)
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6yla LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
GLY E 329
ASP C  66
PRO E 527
LYS E 528
1.76A19.23
NAG  E 906 ( 4.2A)
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
GLY A 352
ASP A 274
TYR A 273
PRO B 116
1.59A8.74
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
GLY A 352
ASP A 274
TYR A 273
PRO B 116
1.59A8.74
None