Ligand ID: HU5


Drugbank ID:
DB08873
(Boceprevir)


Indication:
Boceprevir, when used in combination with [DB00811], [DB00008], and [DB00022] is indicated for use in the treatment of chronic HCV genotype 1 infection in adults [FDA Label].

Get human targets for HU5 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'HU5' 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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		1qz8 POLYPROTEIN 1AB
(SARSr-CoV)		5 / 12
GLN A  11
SER A 105
ALA B 108
ALA B 107
VAL B 110
1.38A17.07
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2acf REPLICASE
POLYPROTEIN 1AB
(SARS-COV
Tor2)		5 / 12
ILE D 205
LEU D 235
GLY D 233
ALA D 220
VAL D 218
1.40A24.54
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2amd 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
GLY A   2
ALA A 210
ALA A 211
VAL A 212
1.31A22.68
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2dd8 IGG HEAVY CHAIN
IGG LIGHT CHAIN
(Homo
sapiens)		5 / 12
HIS H 164
SER L 138
PHE L 140
ALA L 175
ALA L 176
1.51A24.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr-CoV)		5 / 12
ILE B  24
LEU B  54
GLY B  52
ALA B  39
VAL B  37
1.33A22.17
APR  B 477 (-4.0A)
None
None
APR  B 477 (-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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2fav REPLICASE
POLYPROTEIN 1AB
(PP1AB) (ORF1AB)
(SARSr)		5 / 12
ILE B 107
LEU B 101
GLY B  98
ALA B 130
ALA B 135
1.50A22.17
None
None
None
APR  B 477 (-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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2gdt NSP1 (EC 3.4.22.-)
P65 HOMOLOG
LEADER PROTEIN
(SARSr)		5 / 12
LEU A  66
GLY A  71
ARG A  62
ALA A  65
ALA A  65
1.01A23.42
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		5 / 12
ILE B 314
LEU D 122
GLY D 140
ALA D  80
VAL D  84
1.40A20.52
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 207
LEU A  50
GLY A   8
ALA A 204
VAL A 169
1.50A21.33
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		2xyr PUTATIVE 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ILE A 207
LEU A  50
GLY A   8
ALA A 204
VAL A 169
1.50A21.85
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		3ee7 REPLICASE
POLYPROTEIN 1A
(SARSr)		5 / 12
GLN C  11
SER C 105
ALA D 108
ALA D 107
VAL D 110
1.48A20.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
GLY A   2
ALA A 210
ALA A 211
VAL A 212
1.46A22.58
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ILE A 281
GLY A   2
ALA A 210
ALA A 211
VAL A 212
1.21A23.08
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
HIS A 172
GLY A 143
SER A 144
ALA A 116
VAL A 125
1.46A22.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
ARG A 232
LEU A 206
SER A 175
ALA A 204
VAL A 194
1.39A20.45
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		4rna PAPAIN-LIKE PROTEASE
(Human
betacoronavirus
2c
EMC/2012)		5 / 12
HIS A 278
ILE A 117
LEU A 104
GLY A 295
SER A 294
1.51A19.75
None
None
None
OCS  A  98 ( 4.5A)
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		5c8u GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		5 / 12
ILE B 166
LEU B 117
GLY B 110
ALA B 119
VAL B 161
1.46A19.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		5 / 12
ILE A 510
PHE A 326
ARG B  98
ALA A 323
ALA A 320
1.42A18.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
GLN A 630
ILE A 656
GLY A 634
ALA A 676
VAL A 675
1.41A9.77
NAG  A1301 (-3.2A)
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		5x5c S PROTEIN
(MERS-CoV)		5 / 12
LEU B 506
GLY B 552
SER B 508
ALA C 431
ALA C 432
1.31A9.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN A 201
GLY A 199
PHE A 185
ALA A  91
VAL A  98
1.31A10.06
GLN  A 201 ( 0.6A)
GLY  A 199 ( 0.0A)
PHE  A 185 ( 1.3A)
ALA  A  91 ( 0.0A)
VAL  A  98 ( 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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN C 599
ARG B 758
ILE C 650
GLY C 653
ALA B 754
1.33A10.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6cs0 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
GLN B 632
LEU B 636
GLY B 634
ALA B 676
VAL B 675
1.26A9.79
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6cs2 ACE2
(Homo
sapiens)		6 / 12
ARG D 482
ILE D 256
LEU D 262
GLY D 268
ALA D 264
VAL D 488
1.79A14.38
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
GLN C 632
LEU C 636
GLY C 634
ALA C 676
VAL C 675
1.43A9.82
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6nur NSP12
(SARSr)		5 / 12
ILE A 266
LEU A 265
ARG A 183
ALA A 253
VAL A 320
1.45A12.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		6nur NSP12
(SARSr-CoV)		5 / 12
ILE A 888
LEU A 885
PHE A 881
ALA A 866
ALA A 863
1.37A12.16
None