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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLY B  17
TRP B  53
TYR B  89
PRO B  72
1.47A17.29
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)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
GLY B  17
TRP B  53
TYR B  89
PRO B  72
1.47A17.29
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)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
GLY A 125
TRP A  30
ASP A 122
PRO A  58
1.37A21.08
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)		1ssk NUCLEOCAPSID PROTEIN
(SARSr-CoV)		4 / 7
GLY A 125
TRP A  30
ASP A 122
PRO A  58
1.37A21.08
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)		2ajf ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.42A11.83
None
None
CL  B1902 (-4.8A)
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)		2ajf ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.44A11.83
None
None
CL  B1902 (-4.8A)
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)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY H  49
TRP H  36
ASP H  95
TYR S 491
1.16A17.43
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)		2dd8 IGG HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY H  49
TRP H  36
ASP H  95
TYR S 491
1.15A17.43
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)		2gri NSP3
(SARSr)		4 / 7
GLY A  48
TYR A  19
PRO A   2
LYS A   4
1.25A16.92
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		2gri NSP3
(SARSr)		4 / 7
GLY A  48
TYR A  19
PRO A   2
LYS A   4
1.25A16.92
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 9
LEU B 299
PHE B 302
ILE B 235
GLY B 253
LYS B 256
1.69A14.12
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.38A12.21
None
None
CL  B 902 (-4.3A)
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)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP A 168
HIS A 493
ASP A 499
TYR A 497
1.41A12.21
None
None
CL  A 902 (-4.8A)
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)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.45A18.25
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 7
GLY A  17
TRP A  53
TYR A  89
PRO A  72
1.45A18.25
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		3sci ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.37A11.83
None
None
CL  B 902 (-4.8A)
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)		3sci ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.34A11.83
None
None
CL  B 902 (-4.8A)
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)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.35A12.21
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.37A12.21
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
GLY B  17
HIS B  19
ASP B  48
LYS B  32
1.73A12.82
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)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
GLY B  17
HIS B  19
ASP B  48
LYS B  32
1.72A12.82
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)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
GLY C  94
HIS D  19
TYR C  96
PRO C  59
1.68A22.73
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
GLY B  17
HIS B  19
ASP B  48
LYS B  32
1.64A12.82
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)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
GLY B  17
HIS B  19
ASP B  48
LYS B  32
1.63A12.82
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)		5c8t GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
GLY C  94
HIS D  19
TYR C  96
PRO C  59
1.67A22.73
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
GLY M  94
HIS A  19
TYR M  96
PRO M  59
1.79A23.24
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
GLY A 276
TRP A 253
TYR A  58
PRO A  59
1.50A16.00
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		5x4r S PROTEIN
(MERS-CoV)		4 / 7
GLY A 276
TRP A 253
TYR A  58
PRO A  59
1.50A16.00
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
GLY B 640
ASP B 633
TYR C  64
PRO C  59
1.45A6.64
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)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
GLY B 640
ASP B 633
TYR C  64
PRO C  59
1.46A6.64
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 871
ASP B1023
TYR B1029
PRO B1051
1.76A6.86
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6acg ACE2
(Homo
sapiens)		5 / 9
LEU D 351
PHE D 356
ILE D 379
GLY D 326
TYR D  41
1.57A11.71
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)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
GLY A 871
ASP B1023
TYR B1029
PRO B1051
1.76A6.86
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.
2X8P_A_OINA1313_1
(CHOLINE-BINDING
PROTEIN F)		6acj ACE2
(Homo
sapiens)		4 / 4
TRP D 203
LYS D 458
TRP D 461
TYR D 199
1.73A18.26
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)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY C 446
HIS C 445
ASP C 454
PRO C 477
1.78A7.00
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
GLY C 446
HIS C 445
ASP C 454
PRO C 477
1.78A7.00
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6cs2 ACE2
(Homo
sapiens)		4 / 7
GLY D 537
HIS D 540
PRO D 415
LYS D 416
1.72A11.83
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)		6cs2 ACE2
(Homo
sapiens)		4 / 7
TRP D 168
HIS D 493
ASP D 499
TYR D 497
1.57A11.83
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)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY A  26
HIS A   9
TYR A  99
LYS C   1
1.38A16.36
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6iex MHC CLASS I ANTIGEN
(Homo
sapiens;
SARSr-CoV)		4 / 7
GLY A  26
HIS A   9
TYR A  99
LYS C   1
1.40A16.36
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.
1TH6_A_OINA401_1
(PHOSPHOLIPASE A2)		6m18 ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.34A9.59
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6m18 ACE2
(Homo
sapiens)		4 / 7
TRP B 168
HIS B 493
ASP B 499
TYR B 497
1.32A9.59
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.
3OSH_A_OINA5811_1
(PHOSPHOLIPASE A2
ISOFORM 3)		6m1d ACE2
(Homo
sapiens)		5 / 9
LEU B 351
PHE B 356
ILE B 379
PHE B 327
TYR B  41
1.56A9.50
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.
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
GLY H 174
TYR H 145
PRO H 119
LYS H 117
1.61A19.63
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)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 7
GLY H 174
TYR H 145
PRO H 119
LYS H 117
1.61A19.63
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.
2ARM_A_OINA401_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		6yla HEAVY CHAIN
(Homo
sapiens)		4 / 7
GLY B 178
TYR B 149
PRO B 123
LYS B 121
1.69A17.86
MLI  B 301 ( 4.6A)
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 HEAVY CHAIN
(Homo
sapiens)		4 / 7
GLY B 178
TYR B 149
PRO B 123
LYS B 121
1.69A17.86
MLI  B 301 ( 4.6A)
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