Ligand ID: BHS


Drugbank ID:
DB00360
(Sapropterin)


Indication:
For the treatment of tetrahydrobiopterin (BH4) deficiency.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'BHS' 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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.36A22.59
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		4 / 8
SER A  30
VAL A  27
ALA A  35
TRP A  34
1.18A13.83
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2dd8 IGG LIGHT CHAIN
(Homo
sapiens)		4 / 8
VAL L 106
ARG L  61
ALA L  19
GLU L  83
0.95A18.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		2q6g REPLICASE
POLYPROTEIN 1AB
(SARS-COV
BJ01)		4 / 8
VAL B 171
ALA B 193
PHE B 185
GLU B 166
1.34A21.95
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3aw0 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.34A21.95
None
None
None
HSV  B   6 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3ea8 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.34A21.60
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3eaj 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.33A22.40
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3iwm 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL B 171
ALA B 193
PHE B 185
GLU B 166
1.29A21.95
None
None
None
PJE  F   5 (-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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER F 386
VAL F 496
ALA F 384
PHE F 329
1.35A17.94
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		4mds 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.37A22.15
None
None
None
23H  A 401 (-3.8A)
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5b6o 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.37A22.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		5x58 SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		4 / 8
SER A1012
VAL A1015
ALA A1007
PHE A 764
1.23A16.46
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER A 386
VAL A 496
ALA A 384
PHE A 329
1.10A16.92
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6ack ACE2
(Homo
sapiens)		4 / 8
ALA D 396
TRP D 566
PHE D 400
GLU D 398
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6crz SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 8
SER C1012
VAL C1015
ALA C1007
PHE C 764
1.12A17.11
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 8
SER B1012
VAL B1015
ALA B1007
PHE B 764
1.35A16.73
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6nur NSP7
(SARSr-CoV)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.29A13.11
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6vw1 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER F 399
VAL F 510
ALA F 397
PHE F 342
1.35A18.59
None
None
None
NAG  F 601 (-4.8A)