Ligand ID: D2V


Drugbank ID:
DB00153
(Ergocalciferol)


Indication:
For use in the management of hypocalcemia and its clinical manifestations in patients with hypoparathyroidism, as well as for the treatment of familial hypophosphatemia (vitamin D resistant rickets). This drug has also been used in the treatment of nutritional rickets or osteomalacia, vitamin D dependent rickets, rickets or osteomalacia secondary to long-term high dose anticonvulsant therapy, early renal osteodystrophy, osteoporosis (in conjunction with calcium), and hypophosphatemia associated with Fanconi syndrome (with treatment of acidosis).

Get human targets for D2V in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'D2V' 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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
ALA A 116
VAL A 125
THR A 292
ILE A 106
MET A 130
1.46A20.87
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
LEU B 242
GLU B 240
ILE B 200
1.00A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		1wnc E2 GLYCOPROTEIN
(SARSr)		3 / 3
LEU F1167
GLU E 918
ILE E 916
0.86A12.86
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		1x7q BETA-2-MICROGLOBULIN
(Homo
sapiens)		3 / 3
LEU B  87
GLU B  36
ILE B  35
0.98A13.42
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR B1226
ASN B1228
ALA B1234
ALA B1266
MET B1235
1.36A21.34
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR B1226
ASN B1228
ALA B1234
ALA B1266
MET B1235
1.34A21.34
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		1zv8 E2 GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU I  30
GLU J  15
ILE J  16
0.93A6.65
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.36A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		2a5i 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.33A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
LEU B 322
ALA B 306
ALA B 294
THR B 195
ILE B 200
1.31A17.34
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		5 / 12
LEU G 122
ASN G 123
ALA G 193
ALA G 155
VAL G 165
1.23A17.69
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2beq SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU A 930
GLU D1164
ILE D1165
1.00A5.41
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2bez SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU C 930
GLU F1164
ILE F1165
0.97A8.25
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2cme HYPOTHETICAL PROTEIN
5
(SARSr-CoV)		5 / 12
LEU B  88
ALA B  12
ALA E  67
VAL B  16
ILE B  46
1.40A9.87
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR B 199
LEU B 287
PHE B 230
ALA B 206
ILE B 281
1.47A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
LEU B 141
ALA B 125
ALA B 113
THR B  14
ILE B  19
1.31A17.24
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2fe8 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
THR C  19
LEU C  21
PHE C  32
VAL C  58
VAL C   3
MET C  24
1.76A21.69
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
LEU A 112
GLU A  76
ILE A  60
0.86A15.02
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
LEU A  35
GLU A  76
ILE A  60
0.90A15.02
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		3 / 3
LEU A  50
GLU A  80
ILE A  84
0.89A15.02
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2gt8 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 116
VAL A 125
THR A 292
ILE A 106
MET A 130
1.45A21.56
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2hsx LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		3 / 3
LEU A 112
GLU A  76
ILE A  60
0.92A15.02
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		5 / 12
ALA A 116
VAL A 125
THR A 292
ILE A 106
MET A 130
1.45A20.97
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ALA B 116
ALA B   7
VAL A 125
VAL A 303
THR A 304
1.22A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
ALA B 116
ALA B   7
VAL A 125
VAL A 303
THR A 304
1.25A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.67A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
LEU F 331
GLU F 339
ILE F 314
0.90A20.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3aw0 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.35A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3aw0 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.33A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.63A21.43
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 116
VAL A 125
THR A 292
ILE A 106
MET A 130
1.46A21.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA B 116
VAL B 125
THR B 292
ILE B 106
MET B 130
1.45A20.78
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		3i6g BETA-2-MICROGLOBULIN
(Homo
sapiens)		3 / 3
LEU B  87
GLU B  36
ILE B  35
0.88A13.63
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ALA A 116
VAL A 125
THR A 292
ILE A 106
MET A 130
1.46A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.46A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.56A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
THR B 347
PHE B 504
THR B 125
ILE B  54
THR B 129
1.41A21.82
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3sna 3C-LIKE PROTEINASE
(SARSr-CoV)		6 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
MET A 235
1.57A20.95
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5f22 NSP8
(SARSr-CoV)		5 / 12
LEU B 122
ASN B 123
ALA B 193
ALA B 155
VAL B 165
1.23A15.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5tl6 REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		6 / 12
THR B  19
LEU B  21
PHE B  32
VAL B  58
VAL B   3
MET B  24
1.79A21.30
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
PHE C1126
ALA C 956
VAL C1139
THR C 948
ILE C 861
1.45A16.18
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE B1071
ALA C 881
ALA B1062
ILE C 905
MET C 884
1.26A15.46
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE B1071
ALA C 881
ALA B1062
ILE C 905
MET C 884
1.23A15.46
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		5x5f S PROTEIN
(MERS-CoV)		3 / 3
LEU A 952
GLU A 891
ILE A 890
0.98A16.18
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		6 / 12
LEU C1031
PHE C1034
ALA C 864
VAL C 860
THR C 705
ILE C 702
1.75A16.52
LEU  C1031 ( 0.6A)
PHE  C1034 ( 1.3A)
ALA  C 864 ( 0.0A)
VAL  C 860 ( 0.6A)
THR  C 705 ( 0.8A)
ILE  C 702 ( 0.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
PHE B 305
VAL B 307
ALA B 609
VAL B 581
VAL B 537
1.33A16.52
PHE  B 305 ( 1.3A)
VAL  B 307 ( 0.6A)
ALA  B 609 ( 0.0A)
VAL  B 581 ( 0.6A)
VAL  B 537 ( 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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		5zvm SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU A 920
GLU B 918
ILE B 916
0.99A13.07
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6acd SPIKE GLYCOPROTEIN
(SARSr-CoV)		3 / 3
LEU B 636
GLU B 640
ILE B 674
0.82A15.78
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN C 602
PHE C 305
ALA C 609
VAL C 581
VAL C 537
1.24A15.78
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR C 631
VAL C 581
VAL C 606
ILE C 299
THR C 302
1.16A15.78
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6ack ACE2
(Homo
sapiens)		5 / 12
LEU D 558
PHE D 525
ALA D 528
VAL D 574
MET D 408
1.45A21.97
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR B 631
VAL B 581
VAL B 606
ILE B 299
THR B 302
1.13A15.91
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN A 937
ALA A 998
ALA A 748
THR A 760
VAL A 711
1.38A15.55
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR A 631
VAL A 581
VAL A 606
ILE A 299
THR A 302
0.94A15.55
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
LEU B 636
GLU B 640
ILE B 674
0.91A15.55
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6jyt HELICASE
(SARSr)		3 / 3
LEU A 317
GLU A 375
ILE A 399
0.89A22.03
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6jyt HELICASE
(SARSr)		3 / 3
LEU B 317
GLU B 375
ILE B 399
0.67A22.03
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6m0j ACE2
(Homo
sapiens)		3 / 3
LEU A  97
GLU A  22
ILE A  21
0.88A21.97
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6m18 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		3 / 3
LEU A  18
GLU A 519
ILE A 518
0.65A22.08
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6m18 ACE2
(Homo
sapiens)		3 / 3
LEU D 423
GLU D 310
ILE D 307
0.87A19.56
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6m1d ACE2
(Homo
sapiens)		5 / 12
LEU B 642
ASN B 638
ALA D 703
VAL D 670
MET D 706
1.45A19.56
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
THR C 631
VAL C 581
VAL C 606
ILE C 299
THR C 302
0.96A15.97
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN A 602
PHE A 305
ALA A 609
VAL A 581
VAL A 537
1.29A15.97
NAG  A1320 (-1.8A)
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6nur NSP8
(SARSr-CoV)		5 / 12
LEU D 117
ASN D 118
ALA D 188
ALA D 150
VAL D 160
1.28A16.81
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6nus NSP12
(SARSr-CoV)		5 / 12
ASN A 568
VAL A 535
ALA A 660
ALA A 376
VAL A 373
1.36A20.25
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6nus NSP12
(SARSr-CoV)		5 / 12
PHE A 753
VAL A 776
VAL A 587
MET A 756
THR A 586
1.46A20.25
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		6vw1 ACE2
(Homo
sapiens)		3 / 3
LEU B  97
GLU B  22
ILE B  21
0.74A21.29
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR L 180
LEU H 141
ALA H 168
VAL H 152
THR H 165
1.73A15.76
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ALA H  93
ILE H  50
MET H 100
THR H 100
1.54A16.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ALA H  93
ILE H  50
MET H 100
THR H 100
1.52A16.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
THR H 183
ASN L 137
PHE L 118
VAL L 133
VAL L 146
1.79A16.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE B  29
ALA B  97
ILE B  50
MET B 106
THR B 104
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE B  29
ALA B  97
ILE B  50
MET B 106
THR B 104
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ALA H  97
ILE H  50
MET H 106
THR H 104
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ALA H  97
ILE H  50
MET H 106
THR H 104
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PHE H  29
ALA H  97
ILE H  50
MET H 106
THR H 104
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
PHE B  29
ALA B  97
ILE B  50
MET B 106
THR B 104
1.50A
None