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-COV-2 / COVID-19 STRUCTURES

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)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
SER A  10
VAL A  13
ALA A   7
GLU A  14
1.80A18.02
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.36A21.21
None
None
None
ELL  D   3 (-3.7A)
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6lze VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A  10
ARG A 298
ALA A   7
PHE A   8
1.61A21.21
None
DMS  A 402 (-3.5A)
None
DMS  A 402 (-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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.37A21.32
None
None
None
ELL  D   3 ( 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)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		4 / 8
SER A  10
ARG A 298
ALA A   7
PHE A   8
1.60A21.32
None
DMS  A 404 (-3.6A)
None
DMS  A 404 (-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)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 8
VAL C 171
ALA C 193
PHE C 185
GLU C 166
1.43A21.40
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)		6m71 NSP12
(SARS-CoV-2)		4 / 8
SER A 861
ALA A 863
PHE A 859
GLU A 857
1.69A17.34
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6m71 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER B 164
ARG A 392
ALA B 162
PHE A 407
1.64A20.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6m71 NSP7
(SARS-CoV-2)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.30A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 399
VAL A 510
ALA A 397
PHE A 342
1.23A16.18
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER C1030
VAL C1033
ALA C1025
PHE C 782
1.25A16.25
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A1030
VAL A1033
ALA A1025
PHE A 782
1.22A16.33
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)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
SER C 399
VAL C 510
ALA C 397
PHE C 342
1.49A16.59
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)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.40A21.40
None
None
None
X77  A 401 (-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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6wiq NSP7
(SARS-CoV-2)		4 / 8
SER A  25
VAL A  22
ALA A  30
TRP A  29
1.29A12.73
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)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 194
PHE A 185
GLU A 166
1.59A21.40
None
None
None
U5G  A 401 (-4.4A)
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6wqd NSP7
(SARS-CoV-2)		4 / 8
SER A  26
VAL A  22
ALA A  30
TRP A  29
1.54A12.73
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)		6wqd NSP7
(SARS-CoV-2)		4 / 8
SER C  26
VAL C  22
ALA C  30
TRP C  29
1.62A12.73
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)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.35A21.40
None
None
None
O6K  A 402 ( 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)		6yb7 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
SER A  10
VAL A  13
ALA A   7
GLU A  14
1.78A18.02
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER A  26
VAL A  22
ALA A  30
TRP A  29
1.78A11.43
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER C  26
VAL C  22
ALA C  30
TRP C  29
1.49A11.43
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.29A11.43
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 399
VAL A 401
ARG A 346
ALA A 344
1.63A20.71
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 375
ALA E 435
TRP E 436
PHE E 342
1.65A20.71
None
None
DMS  E 901 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 375
ALA A 435
TRP A 436
PHE A 342
1.65A20.71
None
None
DMS  A 901 (-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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 399
VAL A 510
ALA A 397
PHE A 342
1.57A20.71
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 399
VAL E 510
ALA E 397
PHE E 342
1.50A20.71
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 375
ALA E 435
TRP E 436
PHE E 342
1.70A20.71
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 375
ALA E 435
TRP E 436
PHE E 342
1.65A22.34
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 399
VAL A 510
ALA A 397
PHE A 342
1.50A22.34
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER E 399
VAL E 510
ALA E 397
PHE E 342
1.49A22.34
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
SER A 375
ALA A 435
TRP A 436
PHE A 342
1.65A22.34
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7bqy MAIN PROTEASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.38A21.40
None
None
None
PJE  C   5 (-3.7A)
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7btf NSP7
(SARS-CoV-2)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.25A12.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER B 164
ARG A 392
ALA B 162
PHE A 407
1.62A20.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
SER A  10
ARG A 298
ALA A   7
PHE A   8
1.58A21.40
None
DMS  A 406 (-3.5A)
None
DMS  A 406 (-3.7A)
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		4 / 8
VAL A 171
ALA A 193
PHE A 185
GLU A 166
1.34A21.40
None
None
None
DMS  A 402 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER B 164
ARG A 392
ALA B 162
PHE A 407
1.66A19.33
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)		7bv1 NSP7
(SARS-CoV-2)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.43A13.38
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 561
VAL A 560
ARG A 569
ALA A 502
1.73A17.49
None
U  T  10 ( 4.6A)
U  T  12 ( 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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
SER A 913
TRP A 916
PHE A 594
GLU A 917
1.70A17.49
None
None
C  T  15 ( 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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
SER C  25
VAL C  22
ALA C  30
TRP C  29
1.29A13.38
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.
1DMI_A_BHSA1610_1
(NITRIC OXIDE
SYNTHASE)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
SER B 164
ARG A 392
ALA B 162
PHE A 407
1.78A19.33
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)		7bv2 NSP7
(SARS-CoV-2)		4 / 8
SER C  26
VAL C  22
ALA C  30
TRP C  29
1.74A13.38
None