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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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)		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)		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)		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)		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)		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)		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)
Potential target for repurposing, i.e. matched protein structure has less than 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