Ligand ID: KTN


Drugbank ID:
DB01026
(Ketoconazole)


Indication:
For the treatment of the following systemic fungal infections: candidiasis, chronic mucocutaneous candidiasis, oral thrush, candiduria, blastomycosis, coccidioidomycosis, histoplasmosis, chromomycosis, and paracoccidioidomycosis.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'KTN' 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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		6 / 11
SER B  13
ALA B  43
VAL B 110
LEU B 106
ALA B 108
ALA A 108
1.73A15.23
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
PHE B 291
ALA B 206
ALA B 255
THR B 292
LEU B 250
1.46A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA D1155
LEU F 941
VAL E 934
ALA E 938
LEU D 941
1.29A14.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		1wnc E2 GLYCOPROTEIN
(SARSr-CoV)		5 / 11
ALA A1155
VAL B 934
ALA B 938
ALA B1155
LEU A 941
1.43A14.43
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE A 291
ALA A 206
LEU A 242
LEU A 268
ALA A 267
LEU A 250
1.68A19.90
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 11
THR G 146
VAL G 137
LEU G 189
THR G 151
LEU G 174
1.43A19.32
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 11
THR A  14
LEU A  64
ALA E 115
THR E  98
LEU A  76
1.43A13.65
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2ajf ACE2
(Homo
sapiens)		5 / 11
SER B 280
ALA B 251
THR B 282
LEU B 262
ALA B 264
1.44A21.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR C 169
VAL C 117
LEU C 121
ALA C 140
LEU C 133
1.39A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2jzd REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
SER A 585
THR A 612
LEU A 533
ALA A 558
THR A 584
1.45A14.50
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2k7x REPLICASE
POLYPROTEIN 1AB MAIN
PROTEASE
(SARS-COV
Sino1-11)		6 / 11
ALA A 267
THR A 225
VAL A 233
LEU A 272
ALA A 234
LEU A 208
1.79A16.33
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		2k87 NSP3 OF REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
GLY A  77
LEU A  25
LEU A 108
THR A  97
LEU A  36
1.30A12.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2kqv NSP3
(SARSr-CoV)		6 / 11
PHE A  60
TYR A  61
THR A  83
LEU A 105
ALA A 107
LEU A  77
1.77A20.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 11
PHE A 291
ALA A 206
ALA A 255
THR A 292
LEU A 250
1.46A21.41
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		2wct NSP3
(SARSr-CoV)		5 / 11
SER D 585
THR D 612
LEU D 533
ALA D 558
THR D 584
1.46A19.01
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3bgf F26G19 FAB
(Mus
musculus)		5 / 11
SER L  76
THR L  74
LEU L  33
ALA L  51
ALA L  50
1.44A18.61
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 237
LEU A 278
VAL A 487
LEU A 262
ALA A 264
1.30A22.22
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3e9s NSP3
(SARSr-CoV)		5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.37A20.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA A 210
LEU A 287
ALA A 286
ALA A 285
LEU A 282
1.09A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE A 223
ALA A 267
LEU A 287
VAL A 212
ALA A 211
LEU A 271
1.73A19.86
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE A 223
ALA A 267
LEU A 287
VAL A 212
ALA A 211
LEU A 271
1.73A19.86
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA A 210
LEU A 287
ALA A 286
ALA A 285
LEU A 282
1.17A20.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
PHE D 223
ALA D 266
LEU B 205
VAL D 233
LEU D 272
ALA D 234
1.80A15.67
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 12
ALA C  43
GLY D 100
LEU C  45
ALA C 107
LEU C  88
1.35A15.33
None
None
GOL  C 123 ( 4.8A)
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
ALA A 267
THR A 225
LEU A 287
VAL A 233
LEU A 272
LEU A 208
1.75A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3i6l HLA, A-24
NUCLEOPROTEIN
PEPTIDE
(Homo
sapiens;
SARSr-CoV)		5 / 12
ALA D  81
TYR D  85
GLY D 120
ALA D 125
LEU F   9
1.30A21.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE A 223
ALA A 267
LEU A 287
VAL A 212
ALA A 211
LEU A 271
1.78A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
ALA A 267
THR A 225
LEU A 287
VAL A 233
ALA A 234
LEU A 208
1.77A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 11
ALA B 210
LEU B 287
ALA B 286
ALA B 285
LEU B 282
1.09A20.90
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3sci ACE2
(Homo
sapiens)		5 / 12
TYR A 237
LEU A 278
VAL A 487
LEU A 262
ALA A 264
1.27A21.65
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 11
SER B 280
ALA B 251
THR B 282
LEU B 262
ALA B 264
1.44A21.84
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TYR A 237
LEU A 278
VAL A 487
LEU A 262
ALA A 264
1.32A22.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE A 223
ALA A 267
LEU A 287
VAL A 212
ALA A 211
LEU A 271
1.78A18.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		3to2 MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		5 / 11
PHE C   4
THR A  73
VAL C   9
ALA A 125
LEU A 156
1.23A8.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		3vb6 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
PHE B 223
ALA B 267
LEU B 287
VAL B 212
ALA B 211
LEU B 271
1.64A19.86
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
ALA B 267
THR B 225
LEU B 287
VAL B 233
LEU B 272
LEU B 208
1.76A19.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		4m0w REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.43A21.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		4ow0 PAPAIN-LIKE PROTEASE
(SARS-COV
Urbani)		5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.38A21.12
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		6 / 12
PHE D 445
THR D 475
VAL D 483
LEU D 468
ALA D 482
THR D 516
1.73A21.12
None
ZN  D 603 ( 4.9A)
None
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
TYR D 494
VAL D 316
ALA D 320
ALA D 323
THR D 472
1.46A21.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 11
SER D 178
ALA D 425
TYR D 296
ALA D 281
LEU D 419
1.42A21.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5e6j POLYUBIQUITIN-B
REPLICASE
POLYPROTEIN 1AB
UBIQUITIN
(SARSr-CoV;
synthetic
construct)		5 / 11
TYR B  59
LEU A 200
ALA A 205
ALA A 182
LEU C  73
1.41A11.41
5MW  B  48 ( 4.9A)
None
None
None
5MW  B  48 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5e6j REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.41A20.95
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 11
TYR D 494
VAL D 316
ALA D 320
ALA D 323
THR D 472
1.38A21.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5tl7 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 11
THR B 169
VAL B 117
LEU B 121
ALA B 140
LEU B 133
1.38A20.63
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		6 / 12
ALA C  36
THR B  30
LEU C  39
ARG C  38
VAL C  29
LEU C  37
1.78A12.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5x29 ENVELOPE SMALL
MEMBRANE PROTEIN
(SARSr-CoV)		5 / 11
SER B  50
ALA C  32
LEU C  39
ALA C  41
ALA C  44
1.46A12.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 11
THR B 925
VAL B 708
ALA B1038
THR B 922
LEU B 803
1.36A16.27
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 12
GLY B 928
THR B 925
VAL B 708
ALA B1038
THR B 922
LEU B 803
1.55A16.25
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
SER A 924
VAL A 708
ALA A1038
THR A 922
LEU A 803
1.42A16.10
SER  A 924 ( 0.0A)
VAL  A 708 ( 0.6A)
ALA  A1038 ( 0.0A)
THR  A 922 ( 0.8A)
LEU  A 803 ( 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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
PHE A 551
GLY A 534
THR A 533
LEU C 948
LEU C 959
THR A 559
1.73A16.24
PHE  A 551 ( 1.3A)
GLY  A 534 ( 0.0A)
THR  A 533 ( 0.8A)
LEU  C 948 ( 0.6A)
LEU  C 959 ( 0.6A)
THR  A 559 ( 0.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5y3q REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		5 / 11
THR A 169
VAL A 117
LEU A 121
ALA A 140
LEU A 133
1.42A21.43
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
SER A 950
PHE A 952
LEU A 941
ALA A 940
LEU C 948
1.45A12.26
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		5zvm PAN-COV INHIBITORY
PEPTIDE EK1
SPIKE GLYCOPROTEIN
(SARSr-CoV;
synthetic
construct)		6 / 12
ALA A 940
LEU C 944
VAL a  13
ALA B 940
THR c  14
LEU C 941
1.71A11.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
PHE C1057
ALA C 695
THR C 698
ALA B 872
LEU B 876
1.39A16.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
PHE C 551
GLY C 534
THR C 533
LEU B 948
LEU B 959
THR C 559
1.56A16.24
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6ack ACE2
(Homo
sapiens)		5 / 11
SER D 280
ALA D 251
THR D 282
LEU D 262
ALA D 264
1.41A21.67
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY C 928
VAL C 708
ALA C1038
THR C 923
LEU C 920
1.31A16.16
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLY B  68
THR B  67
LEU B 257
THR B  34
LEU B  60
1.21A16.16
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
PHE B 103
ALA B 233
ALA B 251
ALA B 249
LEU B 235
1.46A16.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6cs2 ACE2
(Homo
sapiens)		5 / 12
TYR D 237
LEU D 278
VAL D 487
LEU D 262
ALA D 264
1.28A22.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6m17 ACE2
(Homo
sapiens)		5 / 12
TYR B 237
LEU B 278
VAL B 487
LEU B 262
ALA B 264
1.33A18.01
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
ALA C 399
GLY C  53
VAL C 317
ALA C 318
THR C 396
1.15A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 11
SER C 278
ALA C 282
VAL C 125
ALA C 489
ALA C 590
1.46A20.73
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6nur NSP12
(SARSr-CoV)		6 / 12
THR A 686
LEU A 351
VAL A 662
LEU A 663
ALA A 660
LEU A 655
1.53A17.53
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6nus NSP12
(SARSr-CoV)		5 / 11
ALA A 634
THR A 687
VAL A 662
LEU A 663
ALA A 656
1.40A17.26
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6vw1 ACE2
(Homo
sapiens)		5 / 12
TYR B 237
LEU B 278
VAL B 487
LEU B 262
ALA B 264
1.34A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
ALA L  19
VAL L  85
ALA L  84
THR L  74
LEU L  78
1.73A16.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
ALA L  19
THR L 102
LEU L  15
THR L  74
LEU L  78
1.73A15.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
ALA L  19
VAL L  85
ALA L  84
THR L  74
LEU L  78
1.70A15.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 11
SER L  10
ALA L  19
LEU L  15
ALA L  80
THR L 102
1.80A16.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ALA L  19
VAL L  91
ALA L  90
THR L  80
LEU L  84
1.60A
None
1PE  L1603 ( 4.8A)
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 11
ALA L  19
VAL L  91
ALA L  90
THR L  80
LEU L  84
1.61A
None
1PE  L1603 ( 4.8A)
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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 12
ALA C  19
THR C 108
LEU C  15
THR C  80
LEU C  84
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
ALA C  19
VAL C  91
ALA C  90
THR C  80
LEU C  84
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 11
ALA L  19
VAL L  91
ALA L  90
THR L  80
LEU L  84
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 12
ALA L  19
VAL L  91
ALA L  90
THR L  80
LEU L  84
1.60A
None