Ligand ID: 20J


Drugbank ID:
DB01119
(Diazoxide)


Indication:
Used parentally to treat hypertensive emergencies. Also used to treat hypoglycemia secondary to insulinoma.

Get human targets for 20J in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '20J' 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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 8
SER B 144
ALA B 116
SER B 123
ARG A 298
1.59A20.16
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
SER B 144
ALA B 116
SER B 123
ARG A 298
1.57A20.16
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 7
TYR B 209
ARG B 217
ILE B 281
ALA B 211
1.14A20.16
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B 144
ALA B 116
SER B 123
TYR B 126
1.67A20.25
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1uj1 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B 126
SER B 144
ALA B 116
SER B 123
1.67A20.25
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1x7q HLA, A-11
(Homo
sapiens)		4 / 7
TYR A   9
ASP A  74
SER A  11
ARG A 114
1.70A17.67
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1x7q HLA, A-11
(Homo
sapiens)		4 / 8
ASP A  74
SER A  11
ARG A 114
TYR A   9
1.67A17.67
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B1144
ALA B1116
SER B1123
ARG A 298
1.49A20.25
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B1144
ALA B1116
SER B1123
ARG A 298
1.51A20.25
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 8
SER B 144
ALA B 116
SER B 123
ARG A 298
1.65A20.50
AZP  B 307 (-3.6A)
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 7
SER B 144
ALA B 116
SER B 123
ARG A 298
1.63A20.50
AZP  B 307 (-3.6A)
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 8
ARG G  62
ASP G  57
SER G  16
SER G  52
1.72A16.53
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 7
TYR D 269
PHE D 275
ALA D 255
ARG D 263
1.34A14.25
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
PHE D 275
ALA D 255
ARG D 263
TYR D 269
1.34A14.25
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR A 209
ARG A 217
ILE A 281
ALA A 211
1.11A20.45
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 8
ARG C  83
ASP A  77
SER A  79
SER B  79
1.31A21.22
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2ghw ANTI-SCFV ANTIBODY,
80R
(Homo
sapiens)		4 / 8
PHE B  68
ARG B  87
ALA B  61
ARG B  38
1.60A19.92
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 7
TYR C 494
VAL C 496
ILE C 397
ARG C 395
ILE C 405
1.61A16.53
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		4 / 7
TYR B 209
ARG B 217
ILE B 281
ALA B 211
1.15A19.68
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		4 / 7
TYR A 209
ARG A 217
ILE A 281
ALA A 211
1.19A20.25
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 7
TYR A 209
ARG A 217
ILE A 281
ALA A 211
0.95A20.25
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
PHE E 240
ALA E 283
SER E 261
ARG E 257
1.71A22.07
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 8
PHE E 240
ALA E 283
SER E 261
ARG E 257
1.72A22.07
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 7
TYR A 209
ARG A 217
ILE A 281
ALA A 211
1.13A20.24
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2wct NSP3
(SARSr-CoV)		4 / 7
ASP A 424
SER A 516
SER A 626
ARG A 628
1.77A21.64
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2wct NSP3
(SARSr-CoV)		4 / 7
VAL C 611
ARG C 554
ILE C 556
ALA C 555
1.09A21.64
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
TYR A 181
VAL A 169
ILE A 167
ILE A 157
1.19A20.20
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
TYR A 181
VAL A 169
ILE A 167
ILE A 157
1.18A20.43
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 144
ALA A 116
SER A 123
ARG B 298
1.27A20.25
HSV  C   5 (-3.6A)
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER A 144
ALA A 116
SER A 123
ARG B 298
1.27A20.25
HSV  C   5 (-3.6A)
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
ARG H 100
SER L  34
ALA L  50
TYR L  49
1.52A19.22
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3bgf F26G19 FAB
(Mus
musculus)		4 / 8
SER C  72
ALA C  51
SER C  52
TYR C  71
1.45A19.67
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3bgf F26G19 FAB
(Mus
musculus)		4 / 7
TYR C  71
SER C  72
ALA C  51
SER C  52
1.45A19.67
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
PHE B 356
ASP B 350
ALA B 386
TYR B 385
1.68A20.93
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TYR B 385
PHE B 356
ASP B 350
ALA B 386
1.69A20.93
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR A 209
ARG A 217
ILE A 281
ALA A 211
1.09A20.25
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
VAL C 212
ILE A 259
ARG A 222
ALA A 267
1.21A12.24
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
ARG A 298
SER B 139
ALA B 116
SER B 144
1.58A20.25
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B 126
SER B 144
ALA B 116
SER B 123
1.72A19.45
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		4 / 7
PHE F   2
SER D  71
ALA D  24
SER D   9
1.75A1.61
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER A 144
ALA A 116
SER A 123
TYR A 126
1.68A20.25
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR A 126
SER A 144
ALA A 116
SER A 123
1.68A20.25
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 7
TYR A 181
VAL A 169
ILE A 167
ILE A 157
1.17A19.96
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3sci ACE2
(Homo
sapiens)		4 / 7
TYR B 385
PHE B 356
ASP B 350
ALA B 386
1.71A21.27
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3sci ACE2
(Homo
sapiens)		4 / 8
PHE B 356
ASP B 350
ALA B 386
TYR B 385
1.70A21.27
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
TYR A 385
PHE A 356
ASP A 350
ALA A 386
1.67A21.99
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
PHE A 356
ASP A 350
ALA A 386
TYR A 385
1.66A21.99
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3snd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
TYR B 209
ARG B 217
ILE B 281
ALA B 211
1.07A20.25
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		4 / 7
TYR A 118
VAL C   9
ILE A 124
ALA A 136
1.15A17.68
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
SER B 144
ALA B 116
SER B 123
ARG A 298
1.69A19.65
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
SER B 144
ALA B 116
SER B 123
ARG A 298
1.72A19.65
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
TYR D 420
PHE D 401
SER D 418
SER D 407
1.54A22.01
G3A  D 606 (-4.3A)
G3A  D 606 (-3.8A)
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 8
PHE D 401
SER D 418
SER D 407
TYR D 420
1.50A22.01
G3A  D 606 (-3.8A)
None
None
G3A  D 606 (-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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
VAL D 182
ILE D 242
ARG D  76
ALA D 281
1.08A22.01
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
NSP10
(SARSr-CoV)		4 / 7
TYR C  27
VAL D  66
ILE D 201
ALA C  20
1.17A13.61
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
VAL D 182
ILE D 242
ARG D  76
ALA D 281
1.03A21.95
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
PHE D 436
ASP D 432
ALA D 430
ARG D 400
1.64A21.95
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
TYR C 420
PHE C 401
SER C 418
SER C 407
1.53A21.91
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 8
PHE C 401
SER C 418
SER C 407
TYR C 420
1.50A21.91
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 7
TYR D  84
PHE D  80
SER D  86
ALA D 150
1.78A21.41
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5x4r S PROTEIN
(MERS-CoV)		4 / 8
ARG A 301
SER A  25
ALA A  29
SER A  28
1.66A21.48
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE A 262
ASP A 277
SER A 279
SER A  64
1.77A19.49
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 7
PHE A 193
ASP A 191
SER C 500
ARG C 342
1.20A18.40
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
PHE A 193
ASP A 191
SER C 500
ARG C 342
1.16A18.40
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5x5c S PROTEIN
(MERS-CoV)		4 / 8
ARG B 505
SER C 435
ALA C 431
SER C 429
1.49A17.72
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
ARG A  38
ASP A 277
SER A 279
ALA A 284
1.63A18.86
ARG  A  38 ( 0.6A)
ASP  A 277 ( 0.6A)
SER  A 279 ( 0.0A)
ALA  A 284 ( 0.0A)
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
TYR C  63
PHE C  62
SER C  36
ARG C  38
1.72A18.86
TYR  C  63 ( 1.3A)
PHE  C  62 ( 1.3A)
SER  C  36 ( 0.0A)
ARG  C  38 ( 0.6A)
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
VAL B 628
ILE B 656
ILE B 652
ALA B 658
0.96A18.86
VAL  B 628 ( 0.6A)
ILE  B 656 ( 0.7A)
ILE  B 652 ( 0.7A)
ALA  B 658 ( 0.0A)
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
VAL B 628
ILE B 656
ILE B 652
ALA B 658
0.80A18.86
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
PHE C 558
ASP C 557
SER B 949
SER B 956
1.41A18.86
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
PHE C 558
ASP C 557
SER B 949
SER B 956
1.40A18.86
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
TYR A 494
VAL A 496
ILE A 397
ILE A 405
1.18A18.68
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
TYR B 383
PHE B 416
SER B 500
SER B 380
1.61A18.68
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
PHE A 193
ARG C 342
SER C 380
TYR C 383
1.54A18.68
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6cs2 ACE2
(Homo
sapiens)		4 / 8
PHE D 356
ASP D 350
ALA D 386
TYR D 385
1.68A20.71
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6cs2 ACE2
(Homo
sapiens)		4 / 7
TYR D 385
PHE D 356
ASP D 350
ALA D 386
1.72A20.71
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
PHE A 550
SER A 491
ALA A 590
SER A 594
1.49A21.84
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 8
PHE A 550
SER A 491
ALA A 590
SER A 594
1.51A21.84
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6m18 ACE2
(Homo
sapiens)		4 / 8
PHE D 356
ASP D 350
ALA D 386
TYR D 385
1.71A20.12
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6m18 ACE2
(Homo
sapiens)		4 / 7
TYR B 385
PHE B 356
ASP B 350
ALA B 386
1.72A20.12
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6m1d ACE2
(Homo
sapiens)		4 / 7
HIS D 373
ILE D 307
ARG D 306
ALA D 311
1.22A20.12
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		4 / 8
PHE H  68
ARG H  87
ALA H  61
ARG H  38
1.55A18.20
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6vw1 ACE2
(Homo
sapiens)		4 / 7
TYR B 385
PHE B 356
ASP B 350
ALA B 386
1.72A20.16
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		6vw1 ACE2
(Homo
sapiens)		4 / 8
PHE B 356
ASP B 350
ALA B 386
TYR B 385
1.70A20.16
None