Ligand ID: V2H


Drugbank ID:
DB06410
(Doxercalciferol)


Indication:
Doxercalciferol is indicated for the treatment of secondary hyperparathyroidism in patients with chronic kidney disease on dialysis, as well as for the treatment of secondary hyperparathyroidism in patients with Stage 3 or Stage 4 chronic kidney disease.

Get human targets for V2H in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'V2H' 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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
1.51A20.87
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		4 / 5
ASN A  33
LEU B  97
GLY A 100
THR A 109
1.31A15.42
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ALA A 116
LEU A 141
GLY B 302
THR B 292
1.28A21.31
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR B1226
ASN B1228
ALA B1234
ALA B1266
MET B1235
1.37A21.34
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.72A21.34
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.
3DL9_B_V2HB602_0
(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
1.35A21.31
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		4 / 5
ALA B 116
LEU B 141
GLY A 302
THR A 292
1.30A21.56
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		4 / 5
ASN B 219
ALA B 311
LEU B 291
GLY B 279
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2ajf ACE2
(Homo
sapiens)		5 / 12
MET B 474
ALA B 501
GLU B 181
MET B 123
THR B 122
1.54A21.29
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2alv REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.76A20.74
None
CY6  A1145 (-4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR B 226
ASN B 228
VAL B 233
ALA B 234
ALA B 266
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 5
ALA A 116
LEU A 141
GLY B 302
THR B 292
1.18A21.31
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.64A21.31
None
ENB  A 307 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL L 208
ALA L 209
ALA L 151
GLU L 205
THR L 117
1.58A16.84
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		4 / 5
ASN A  38
ALA A 130
LEU A 110
GLY A  98
1.23A17.24
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2gdt LEADER PROTEIN
P65 HOMOLOG
NSP1
(SARSr-CoV)		3 / 3
VAL A  95
LEU A  45
GLY A  87
0.58A15.02
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2gtb 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.78A21.56
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2gx4 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.74A21.31
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2h85 PUTATIVE ORF1AB
POLYPROTEIN
(SARSr-CoV)		3 / 3
VAL A 162
LEU A 167
GLY A 169
0.72A20.62
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		3 / 3
VAL B  20
LEU B  27
GLY B 146
0.78A21.21
None
WR1  B 602 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
VAL C 162
LEU C 167
GLY C 169
0.65A20.80
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 5
ALA A 116
LEU A 141
GLY B 302
THR B 292
1.22A20.97
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2qc2 3C-LIKE PROTEINASE
(-)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.75A21.31
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2qcy 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
1.53A21.31
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
VAL A 233
ALA A 234
ALA A 266
1.57A21.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2qiq REPLICASE
POLYPROTEIN 1AB
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.76A21.21
None
CYV  A 302 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
VAL C  24
VAL C   9
GLU C  41
VAL F  51
ILE C  27
1.29A20.59
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		3 / 3
VAL D 162
LEU D 167
GLY D 169
0.57A20.59
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 5
ASN D  29
ALA B  30
LEU B   2
THR D 105
1.35A20.59
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		2wct NSP3
(SARSr-CoV)		5 / 12
MET A 444
PHE B 406
ALA D 555
GLU B 402
ILE B 394
1.48A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
ASN A 198
ALA A 168
LEU A  85
GLY A  81
1.40A19.09
None
None
None
SAH  A1293 (-3.6A)
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
ASN A 198
ALA A 168
LEU A  85
GLY A  81
1.37A19.21
None
None
None
SFG  A1298 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3aw0 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.69A21.31
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.
3DL9_B_V2HB602_0
(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
1.36A21.31
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3d62 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.79A20.95
None
959  A 350 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.73A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL B  20
LEU B  27
GLY B 146
0.76A21.43
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.
3DL9_B_V2HB602_0
(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
1.66A21.43
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3f9h 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL B  20
LEU B  27
GLY B 146
0.77A21.13
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.78A21.31
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.
3DL9_B_V2HB602_0
(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
1.58A21.31
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.77A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		3mj5 REPLICASE
POLYPROTEIN 1A
(SARSr-CoV)		4 / 5
ASN A 157
LEU A  59
GLY A  82
THR B 198
1.17A21.65
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		4 / 5
ASN A 198
ALA A 168
LEU A  85
GLY A  81
1.41A20.12
None
None
None
SAM  A 302 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
THR B 347
PHE B 504
THR B 125
ILE B  54
THR B 129
1.52A21.57
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.
3DL9_B_V2HB602_0
(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
1.59A20.95
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.77A22.09
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.53A22.09
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.76A20.25
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
THR A 226
ASN A 228
ALA A 234
ALA A 266
MET A 235
1.55A21.11
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		3 / 3
VAL A  20
LEU A  27
GLY A 146
0.79A21.11
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
PHE A 305
ALA A 609
VAL A 581
TYR A 598
VAL A 537
1.36A15.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5x59 S PROTEIN
(MERS-CoV)		4 / 5
ALA B 962
LEU A 780
GLY A1170
THR A1187
1.33A16.03
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		6 / 12
PHE B1071
ALA C 881
ALA B1062
GLU C 900
ILE C 905
MET C 884
1.69A15.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(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
1.32A16.54
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN C1090
VAL C1050
ALA B 872
ILE C 891
THR C1048
1.48A16.54
ASN  C1090 ( 0.6A)
VAL  C1050 ( 0.6A)
ALA  B 872 ( 0.0A)
ILE  C 891 ( 0.7A)
THR  C1048 ( 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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ASN A 838
ALA A 834
LEU B 571
THR A  51
1.33A16.54
ASN  A 838 ( 0.6A)
ALA  A 834 ( 0.0A)
LEU  B 571 ( 0.6A)
THR  A  51 ( 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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ALA A 881
ALA B1062
GLU A 900
ILE A 905
MET A 884
1.43A15.80
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ASN A 733
ALA A 971
LEU A 978
THR B 535
1.24A15.80
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.
3DL9_A_V2HA602_0
(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
1.16A15.80
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.
3DL9_A_V2HA602_0
(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
1.15A15.78
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ASN C 733
ALA C 971
LEU C 978
THR B 535
1.27A15.78
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 5
ASN C  29
ALA C 249
LEU C 235
GLY C  77
1.08A15.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
THR B 631
VAL B 581
VAL B 606
ILE B 299
THR B 302
0.96A15.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		3 / 3
VAL A  98
LEU A 235
GLY A  77
0.60A15.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASN A1090
VAL A1050
ALA B 872
ILE A 891
THR A1048
1.49A15.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6jyt HELICASE
(SARSr-CoV)		4 / 5
ALA B 292
LEU B 280
GLY B 400
THR B 566
1.41A21.78
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6jyt HELICASE
(SARSr-CoV)		5 / 12
THR A 547
VAL A 510
ALA A 509
ALA A 522
ILE A 572
1.50A21.78
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6m18 ACE2
(Homo
sapiens)		5 / 12
PHE D 643
VAL D 647
ALA D 650
ALA D 714
ILE D 727
1.57A19.56
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 5
ASN A 528
ALA A 508
GLY A 512
THR A 372
1.40A15.82
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.
3DL9_A_V2HA602_0
(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
0.95A15.82
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
(Homo
sapiens)		4 / 5
ALA H  23
LEU H  20
GLY H   8
THR H 165
1.24A19.33
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6nur NSP12
(SARSr-CoV)		4 / 5
ASN A 705
ALA A 125
LEU A 142
THR A 462
1.18A20.08
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6nur NSP12
NSP8
(SARSr-CoV)		4 / 5
ASN B 100
ALA A 379
LEU A 401
GLY A 385
1.37A16.81
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		6nur NSP12
(SARSr-CoV)		5 / 12
PHE A 753
VAL A 776
VAL A 587
MET A 756
THR A 586
1.46A20.08
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6nur NSP12
(SARSr-CoV)		5 / 12
MET A 755
VAL A 693
ALA A 699
THR A 687
ILE A 589
1.43A20.08
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5
ASN L  22
ALA L  51
LEU L  27
GLY L  68
1.26A15.76
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		4 / 5
ALA H  78
LEU H   4
GLY H 104
THR H   9
1.69A16.28
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5
ASN L 137
ALA L 111
LEU L 201
THR H 131
1.36A15.76
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.
3DL9_A_V2HA602_0
(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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		4 / 5
ALA H 168
LEU H 170
GLY H 174
THR L 129
1.69A16.28
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
VAL H 111
LEU H  82
GLY H  15
1.57A16.28
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
VAL L  13
LEU L  78
GLY L  16
1.62A15.76
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
VAL L 133
LEU H 124
GLY H 139
1.74A15.76
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		3 / 3
VAL L  27
LEU L  27
GLY L  68
1.01A15.76
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
VAL H  37
LEU H  45
GLY H  44
1.58A16.28
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB LIGHT
CHAIN
(Homo
sapiens)		5 / 12
VAL L 104
ALA L  12
ALA L  80
GLU L 165
THR L 102
1.79A15.76
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.
3DL9_B_V2HB602_0
(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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
VAL H 102
LEU H   4
GLY H 104
1.63A16.28
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		3 / 3
VAL H 102
LEU H   4
GLY H  24
1.28A16.28
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.
3DL9_A_V2HA602_0
(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
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
VAL H 108
LEU H   4
GLY H  24
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 5
ALA H 172
LEU H 174
GLY H 178
THR L 135
1.67A
None
MLI  H 304 (-4.8A)
MLI  H 301 ( 4.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
THR H 155
TYR H 149
VAL B 115
ILE B  20
THR B 116
1.69A
MLI  H 305 ( 4.1A)
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 5
ALA B 172
LEU B 174
GLY B 178
THR C 135
1.70A
None
None
MLI  B 301 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6yla HEAVY CHAIN
(Homo
sapiens)		3 / 3
VAL B 108
LEU B   4
GLY B  24
1.27A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(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
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(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
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6ym0 HEAVY CHAIN
(Homo
sapiens)		3 / 3
VAL H 108
LEU H   4
GLY H  24
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(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
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		4 / 5
ALA H 172
LEU H 174
GLY H 178
THR L 135
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
VAL H 108
LEU H   4
GLY H  24
1.33A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(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
1.50A
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
(Homo
sapiens)		3 / 3
VAL B 108
LEU B   4
GLY B  24
1.32A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_0
(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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 5
ALA B 172
LEU B 174
GLY B 178
THR C 135
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_B_V2HB602_0
(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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		4 / 5
ALA H 172
LEU H 174
GLY H 178
THR L 135
1.67A
None