Ligand ID: X8Z


Drugbank ID:
DB01197
(Captopril)


Indication:
For the treatment of essential or renovascular hypertension (usually administered with other drugs, particularly thiazide diuretics). May be used to treat congestive heart failure in combination with other drugs (e.g. cardiac glycosides, diuretics, β-adrenergic blockers). May improve survival in patients with left ventricular dysfunction following myocardial infarction. May be used to treat nephropathy, including diabetic nephropathy.

Get human targets for X8Z in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'X8Z' 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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		5r84 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.72A20.47
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.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		6lu7 MAIN PROTEASE
(SARS-CoV-2)		5 / 11
HIS A 164
HIS A  41
ASP A 187
CYH A  85
GLU A  55
1.76A21.63
None
PJE  C   5 ( 4.9A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
VAL C  36
HIS C  80
CYH C  22
ASN C  63
1.79A20.47
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6m2q 3CL PROTEASE
(SARS-CoV-2)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.80A20.47
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6m71 NSP12
(SARS-CoV-2)		4 / 8
VAL A 493
HIS A 572
CSS A 487
ASN A 568
1.75A14.33
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ASP C 663
GLU C 661
GLY C 667
GLY C 669
ILE C 664
1.76A15.26
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.50A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
1.47A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.28A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.72A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.71A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.29A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.76A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.65A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.34A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
1.55A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.32A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.64A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w6y NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.55A
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		6w75 NSP10
NSP16
(SARS-CoV-2)		5 / 11
HIS D4333
ASP C6900
GLY C6869
ASN C6899
ILE C6910
1.77A16.07
None
None
SAM  C7105 ( 3.8A)
SAM  C7105 ( 4.1A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w75 NSP10
(SARS-CoV-2)		4 / 8
VAL D4350
HIS D4301
CYH D4299
ASN D4315
1.77A16.73
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w75 NSP10
(SARS-CoV-2)		4 / 8
VAL B4350
HIS B4301
CYH B4299
ASN B4315
1.79A16.73
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C   7
HIS C  47
ASN C  48
HIS C  50
1.57A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B   7
HIS B  47
ASN B  48
HIS B  50
1.70A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.64A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.54A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wcf NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.34A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wen NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.32A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wen NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.55A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wen NSP3
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.69A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wey NSP3
(SARS-CoV-2)		4 / 8
VAL A 228
HIS A 290
CYH A 296
ASN A 258
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wey NSP3
(SARS-CoV-2)		4 / 8
VAL A 228
HIS A 249
HIS A 298
CYH A 296
1.52A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wey NSP3
(SARS-CoV-2)		4 / 8
VAL A 228
HIS A 298
CYH A 296
ASN A 258
1.65A
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		6wjt 2'-O-METHYLTRANSFERA
SE
NSP10
(SARS-CoV-2)		5 / 11
HIS D4333
ASP C6900
GLY C6869
ASN C6899
ILE C6910
1.79A16.07
None
None
SAH  C7102 (-3.8A)
SAH  C7102 (-4.1A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wjt NSP10
(SARS-CoV-2)		4 / 8
VAL D4350
HIS D4301
CYH D4299
ASN D4315
1.78A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wjt NSP10
(SARS-CoV-2)		4 / 8
VAL B4350
HIS B4301
CYH B4299
ASN B4315
1.79A
None
FMT  B4403 (-4.1A)
FMT  B4403 (-4.1A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wkq NSP10
(SARS-CoV-2)		4 / 8
VAL B4350
HIS B4301
CYH B4299
ASN B4315
1.79A
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		6wkq NSP10
NSP16
(SARS-CoV-2)		5 / 11
HIS D4333
ASP C6900
GLY C6869
ASN C6899
ILE C6910
1.76A16.07
None
None
SFG  C7103 ( 3.7A)
SFG  C7103 ( 4.2A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wkq NSP10
(SARS-CoV-2)		4 / 8
VAL D4350
HIS D4301
CYH D4299
ASN D4315
1.78A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.33A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  45
HIS D  94
CYH D  92
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A 155
HIS D 119
ASP A 157
HIS D  91
1.73A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  94
CYH C  92
ASN C  54
1.66A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  86
CYH D  92
ASN D  54
1.32A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  45
HIS C  94
CYH C  92
1.55A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  94
CYH D  92
ASN D  54
1.66A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  86
CYH C  92
ASN C  54
1.29A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.68A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.65A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.55A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6wq3 NSP10
(SARS-CoV-2)		4 / 8
VAL B4350
HIS B4301
CYH B4299
ASN B4315
1.74A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A  36
HIS A  80
CYH A  22
ASN A  63
1.66A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  45
HIS C  94
CYH C  92
1.51A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  45
HIS E  94
CYH E  92
1.55A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  86
CYH C  92
ASN C  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  86
CYH E  92
ASN E  54
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  94
CYH C  92
ASN C  54
1.65A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.29A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  94
CYH D  92
ASN D  54
1.69A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.65A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  94
CYH E  92
ASN E  54
1.64A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
1.52A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.64A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  45
HIS D  94
CYH D  92
1.51A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  86
CYH D  92
ASN D  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  86
CYH C  92
ASN C  54
1.29A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  86
CYH D  92
ASN D  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.29A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  94
CYH D  92
ASN D  54
1.68A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.66A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  45
HIS E  94
CYH E  92
1.54A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.54A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.67A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL D  24
HIS D  45
HIS D  94
CYH D  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  45
HIS C  94
CYH C  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  94
CYH E  92
ASN E  54
1.66A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  24
HIS E  86
CYH E  92
ASN E  54
1.30A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  94
CYH C  92
ASN C  54
1.67A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  94
CYH A  92
ASN A  54
1.64A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  94
CYH C  92
ASN C  54
1.67A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  86
CYH B  92
ASN B  54
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  45
HIS C  94
CYH C  92
1.51A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  45
HIS B  94
CYH B  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL C  24
HIS C  86
CYH C  92
ASN C  54
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  45
HIS A  94
CYH A  92
1.53A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL A  24
HIS A  86
CYH A  92
ASN A  54
1.31A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL B  24
HIS B  94
CYH B  92
ASN B  54
1.65A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		7btf NSP12
(SARS-CoV-2)		4 / 8
VAL A 776
HIS A 613
CYH A 765
ASN A 611
1.77A
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		7btf NSP12
(SARS-CoV-2)		4 / 8
VAL A 493
HIS A 572
CYH A 487
ASN A 568
1.70A
None
None
ZN  A1002 (-2.7A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
VAL A 493
HIS A 572
CYH A 487
ASN A 568
1.73A
None
None
ZN  A1002 (-2.3A)
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
VAL A 493
HIS A 572
CYH A 487
ASN A 568
1.73A
None
None
ZN  A1002 (-2.3A)
None