Ligand ID: CL6


Drugbank ID:
DB00257
(Clotrimazole)


Indication:
For the local treatment of oropharyngeal candidiasis and vaginal yeast infections, also used in fungal infections of the skin such as ringworm, athlete's foot, and jock itch.

Get human targets for CL6 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CL6' 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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A22.12
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.42A22.09
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		4 / 5
LEU B 271
ALA B 266
VAL B 212
ILE B 259
1.39A20.85
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.43A22.12
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLN A  20
ALA A  15
ALA A  54
THR A  67
1.35A13.45
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.89A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		1uk2 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.89A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1uw7 NSP9
(SARS-COV
HKU-39849)		4 / 6
GLN A  20
ALA A  15
ALA A  54
THR A  67
1.40A15.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1wnc E2 GLYCOPROTEIN
(SARSr)		4 / 6
GLN B 939
ALA D1155
ALA F 940
THR F 943
1.29A14.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A21.62
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1wof 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.45A22.09
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		1x7q HLA, A-11
(Homo
sapiens)		4 / 6
GLN A 242
ALA A 245
THR A 233
PHE A 208
1.45A21.58
None
None
GOL  A5005 (-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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.90A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.89A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
ALA A 210
THR A 257
VAL A 261
ILE A 259
1.36A21.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.98A21.73
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		6 / 12
LEU H 108
VAL D  11
LEU H 127
ALA D  53
GLU D  55
THR D  51
1.77A20.92
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
LEU G 100
ILE G 112
LEU C  61
LEU G  96
0.95A16.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 5
LEU F 185
ALA F 167
VAL F 191
ILE F 190
1.37A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 8
GLN B  68
ILE F 112
LEU F 100
THR B  14
LEU F  96
1.48A11.62
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2ajf ACE2
(Homo
sapiens)		4 / 8
LEU B 262
ILE B 256
LEU B 248
LEU B 267
0.99A20.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2amq 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.40A21.62
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU C 948
ILE F1151
LEU C 944
LEU B 948
0.97A6.94
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 8
LEU G 332
GLN G 261
LEU H 354
LEU H 340
0.98A16.61
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2cjr NUCLEOCAPSID PROTEIN
(SARS-COV
TW1)		4 / 6
GLN C 268
ALA C 274
ALA C 265
THR C 297
1.31A16.61
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
ALA A 266
VAL A 212
ILE A 259
1.38A20.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2gib NUCLEOCAPSID PROTEIN
(SARSr-CoV)		5 / 8
LEU B 340
GLN B 307
ILE B 338
LEU A 332
LEU B 354
1.78A15.38
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.36A22.43
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.94A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2liz 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.43A19.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.44A21.62
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 9
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.96A21.62
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
LEU D 227
ALA D 231
VAL D 236
ILE D 235
1.35A22.14
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2pwx 3C-LIKE PROTEINASE
(SARS-COV
BJ01)		4 / 6
ALA A 191
ALA A 193
THR A 196
PHE A 185
1.26A24.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.39A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.92A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2qc2 3C-LIKE PROTEINASE
(-)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.45A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA A 191
ALA A 193
THR A 196
PHE A 185
1.25A23.91
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.99A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.42A24.02
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A21.62
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.45A21.62
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
ALA F  22
THR F  33
VAL F  31
ILE F  42
1.39A21.41
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.43A24.18
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.96A22.20
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		6 / 12
LEU B 205
LEU B 220
ILE B 259
ALA B 260
THR B 224
ALA B 267
1.42A22.20
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		2w2g NSP3
(SARSr-CoV)		5 / 8
MET A 428
LEU A 475
ILE A 459
THR A 485
LEU A 412
1.46A21.65
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 183
ALA A 178
VAL A 169
ILE A 171
1.35A21.50
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 183
ALA A 178
VAL A 169
ILE A 171
1.32A21.63
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3atw 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.33A23.45
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		3avz 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 167
ALA A 191
VAL A 186
ILE A 188
1.35A21.69
None
ACE  B   1 (-3.0A)
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.93A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.92A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3d0g ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 8
LEU A 584
ILE A 233
LEU A 450
THR A 519
LEU A 520
1.63A20.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		3d0i ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
LEU A 320
ALA A 550
VAL A 404
ILE A 407
1.18A21.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.41A24.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
LEU A 271
ALA A 266
VAL A 212
ILE A 259
1.39A19.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.40A21.68
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.39A23.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3ea7 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.95A21.68
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3ea9 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.94A21.68
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.41A23.68
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.43A21.68
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		4 / 6
GLN D 273
ALA D 267
ALA D 266
THR D 225
1.43A15.86
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3ebn REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
LEU C 205
LEU C 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.53A15.50
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 6
GLN B  20
ALA B  15
ALA B  54
THR B  67
1.34A14.21
GOL  B 124 (-3.1A)
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3f9e 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA A 191
ALA A 193
THR A 196
PHE A 185
1.21A22.27
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.94A21.78
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.42A22.09
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU B 205
LEU B 220
ILE B 259
ALA B 260
ALA B 267
0.96A21.66
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3i6k HLA, A-2
(Homo
sapiens)		4 / 6
GLN A 242
ALA A 245
THR A 233
PHE A 208
1.44A21.93
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3i6l HLA, A-24
(Homo
sapiens)		4 / 6
GLN D 242
ALA D 245
THR D 233
PHE D 208
1.43A22.14
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN D 273
ALA D 267
ALA D 266
THR D 225
1.36A23.68
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.41A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.97A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
ALA A 191
ALA A 193
THR A 196
PHE A 185
1.37A22.33
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.52A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.97A21.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU B 205
LEU B 220
ILE B 259
ALA B 260
THR B 224
ALA B 267
1.24A21.68
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.94A21.68
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
LEU A 183
ALA A 178
VAL A 169
ILE A 171
1.33A21.66
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 5
LEU B 320
ALA B 550
VAL B 404
ILE B 407
1.34A20.92
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 8
LEU A 591
ILE A 436
LEU A 440
LEU A 595
0.97A20.53
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.45A24.02
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.99A21.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.45A22.17
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.89A22.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.90A22.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN A 273
ALA A 267
ALA A 266
THR A 225
1.35A24.02
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 8
HIS A 140
LEU A 174
LEU A 170
THR A 119
LEU A 123
1.47A24.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.32A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 6
GLN B 273
ALA B 267
ALA B 266
THR B 225
1.38A24.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 6
GLN D 254
ALA D 270
ALA D 274
THR D 277
1.28A21.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5f22 NSP8
NSP7
(SARSr-CoV)		5 / 8
MET B  95
LEU B 108
ILE B 112
THR A  14
LEU B 103
1.68A14.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5tl7 UBIQUITIN-LIKE
PROTEIN ISG15
(Mus
musculus)		4 / 8
LEU C  80
ILE C  82
LEU C 140
LEU C  98
0.97A11.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5x4r S PROTEIN
(MERS-CoV)		5 / 8
LEU A 149
GLN A 258
ILE A 256
LEU A 171
LEU A 169
1.52A20.27
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ALA A  90
THR A  92
VAL A 205
ILE A 203
1.28A19.61
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 12
THR A 865
ILE A 878
ALA A 866
THR A 869
ALA A 874
ALA C 695
1.71A16.25
None
None
None
None
None
NAG  C1305 ( 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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 6
ALA C 139
ALA C 237
THR C 247
PHE C  76
1.45A15.53
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 5
ALA C  90
THR C  92
VAL C 205
ILE C 203
1.07A16.27
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		5x5c S PROTEIN
(MERS-CoV)		4 / 5
ALA B 760
THR B 741
VAL B 360
ILE B 662
1.36A13.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 8
LEU A 488
ILE A 491
LEU A 389
LEU A 417
0.99A14.38
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
PHE A 238
VAL A  97
THR A 236
THR A  71
ALA A 251
ALA A 249
1.74A16.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6acg ACE2
(Homo
sapiens)		5 / 8
HIS D  34
LEU D 100
GLN D  76
LEU D 391
LEU D  29
1.60A20.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
LEU C 966
ILE C 962
LEU C 963
THR C 729
0.96A15.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU B 355
ALA B 350
VAL B 328
ILE B 345
1.24A16.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
THR B 865
ILE B 878
ALA B 866
THR B 869
ALA B 874
ALA A 695
1.55A17.05
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
LEU C 876
ALA C 872
VAL B 893
ILE B 891
1.39A16.40
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 6
ALA C 139
ALA C 237
THR C 247
PHE C  76
1.35A15.90
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ALA C  90
THR C  92
VAL C 205
ILE C 203
1.19A16.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		6 / 12
THR B 865
ILE B 878
ALA B 866
THR B 869
ALA B 874
ALA A 695
1.56A16.67
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6cs1 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 8
LEU A 804
GLN A1036
LEU A 927
THR A 923
LEU A 920
1.66A15.90
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6cs2 ACE2
(Homo
sapiens)		5 / 8
HIS D  34
LEU D 100
GLN D  76
LEU D 391
LEU D  29
1.66A21.32
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6m0j ACE2
(Homo
sapiens)		4 / 5
LEU A 320
ALA A 550
VAL A 404
ILE A 407
1.05A21.12
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6m17 ACE2
(Homo
sapiens)		4 / 8
LEU B 591
ILE B 436
LEU B 440
LEU B 595
0.91A17.67
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6m18 ACE2
(Homo
sapiens)		4 / 5
LEU B 320
ALA B 550
VAL B 404
ILE B 407
1.24A18.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
THR A 865
ILE A 878
ALA A 866
THR A 869
ALA A 874
ALA B 695
1.54A16.18
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 8
MET A1032
HIS A1030
LEU A 859
THR A 863
LEU A1016
1.56A15.50
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 6
HIS C1040
ALA C1037
THR C 856
PHE C 764
1.41A15.50
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
LEU B 840
ALA B 714
VAL B 990
ILE B 752
1.37A16.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6nur NSP7
NSP8
(SARSr-CoV)		5 / 8
LEU C  56
ILE D 106
LEU D 103
THR C   9
LEU C  13
1.62A11.68
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6nur NSP12
(SARSr-CoV)		4 / 5
LEU A 329
ALA A 379
VAL A 359
ILE A 333
1.29A17.40
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6nur NSP8
(SARSr-CoV)		4 / 5
LEU D 180
ALA D 162
VAL D 186
ILE D 185
1.39A19.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		6nus NSP12
NSP8
(SARSr-CoV)		4 / 6
HIS A 381
ALA A 379
ALA A 383
THR B 124
1.41A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6vw1 ACE2
(Homo
sapiens)		4 / 5
LEU A 320
ALA A 550
VAL A 404
ILE A 407
1.05A21.40
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
PHE L 209
VAL L 191
ILE L 117
ALA L 193
THR L 206
1.58A18.50
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
LEU L 179
VAL L 150
LEU L 125
GLU L 187
ALA L 130
1.73A18.50
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5
LEU L  73
ALA L  51
THR L  53
VAL L  58
1.72A17.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
PHE L 209
VAL L 150
LEU L 125
GLU L 187
ALA L 130
1.75A18.50
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 9
PHE L 209
VAL L 150
LEU L 125
GLU L 187
ALA L 130
1.75A18.50
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
LEU H 189
VAL H 184
THR H 135
ALA H 137
ALA H 125
1.72A16.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 9
LEU L 179
VAL L 150
LEU L 125
GLU L 187
ALA L 130
1.74A18.50
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 9
LEU C 185
VAL C 156
LEU C 131
GLU C 193
ALA C 136
1.61A
None
MLI  C 305 ( 4.5A)
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 9
LEU L 185
VAL L 156
LEU L 131
GLU L 193
ALA L 136
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 9
PHE L 215
VAL L 156
LEU L 131
GLU L 193
ALA L 136
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yla LIGHT CHAIN
(Homo
sapiens)		5 / 9
PHE C 215
VAL C 156
LEU C 131
GLU C 193
ALA C 136
1.59A
None
MLI  C 305 ( 4.5A)
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 12
PHE L 215
VAL L 197
ILE L 123
ALA L 199
THR L 212
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 9
LEU L 185
VAL L 156
LEU L 131
GLU L 193
ALA L 136
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6ym0 LIGHT CHAIN
(Homo
sapiens)		5 / 9
LEU L  53
PHE L  68
ILE L  81
ALA L  19
ALA L  90
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 9
PHE L 215
VAL L 156
LEU L 131
GLU L 193
ALA L 136
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 9
LEU C 185
VAL C 156
LEU C 131
GLU C 193
ALA C 136
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 9
LEU L 185
VAL L 156
LEU L 131
GLU L 193
ALA L 136
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		6yor IGG L CHAIN
(Homo
sapiens)		5 / 9
PHE C 215
VAL C 156
LEU C 131
GLU C 193
ALA C 136
1.59A
None