Ligand ID: 08Y


Drugbank ID:
DB01200
(Bromocriptine)


Indication:
For the treatment of galactorrhea due to hyperprolactinemia, prolactin-dependent menstrual disorders and infertility, prolactin-secreting adenomas, prolactin-dependent male hypogonadism, as adjunct therapy to surgery or radiotherapy for acromegaly or as monotherapy is special cases, as monotherapy in early Parksinsonian Syndrome or as an adjunct with levodopa in advanced cases with motor complications. Bromocriptine has also been used off-label to treat restless legs syndrome and neuroleptic malignant syndrome.

Get human targets for 08Y in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '08Y' 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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D   3
SER B 284
THR D 111
ALA D 285
THR D 280
1.66A21.27
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
PHE D   3
SER B 284
THR D 111
ALA D 285
THR D 280
1.53A21.06
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG B  90
ARG B  89
ARG B  93
0.91A14.29
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 100
PHE A 219
ILE A  86
PHE A 192
ALA A 195
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 623
ILE A 757
PHE A 694
THR A 680
ALA A 702
1.71A19.22
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 623
ILE A 757
PHE A 694
THR A 680
ALA A 702
1.68A19.33
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 126
PHE A 134
THR A 141
PHE A 165
THR A 462
1.61A19.33
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ARG A 631
SER A 635
ILE A 632
THR A 701
ALA A 639
1.78A19.22
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE C 888
SER C 816
ILE C 818
ALA C 871
ALA C 876
1.26A17.68
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE C 888
SER C 816
ILE C 818
ALA C 871
ALA C 876
1.28A17.29
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6vww URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
SER A  98
ILE A 108
THR A  49
ALA A  55
GLU A  57
1.38A22.47
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A1121
ILE B 923
THR A1077
ALA A1080
GLU B 918
1.50A17.43
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		6 / 12
PHE A1121
PHE B 906
ILE B 923
ALA B 899
ALA A1080
GLU B 918
1.67A17.59
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A1052
ARG A 905
ILE C 712
ALA C 706
ALA A 879
1.57A17.28
None
None
None
NAG  C1315 (-3.4A)
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		3 / 3
ARG D  89
ARG D  88
ARG D  92
0.88A13.91
None
None
MES  A 201 ( 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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w4h NSP16
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.65A20.97
ACT  A7104 (-4.7A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
PHE A6954
PHE A6868
THR A6915
ALA A6966
1.70A
SAM  A7104 (-3.6A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
ILE A6955
PHE A6868
THR A6915
ALA A6966
1.59A
SAM  A7104 (-3.6A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.63A
EDO  A7102 (-4.8A)
KCX  A6935 ( 3.6A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.59A14.79
None
FMT  A7103 ( 4.4A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP C6912
ILE C6955
PHE C6868
THR C6915
ALA C6966
1.60A14.79
SAM  C7105 ( 3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.66A14.79
None
FMT  A7103 ( 4.4A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP A6912
PHE A6954
PHE A6868
THR A6915
ALA A6966
1.71A14.79
SAM  A7102 ( 3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP C6912
PHE C6954
PHE C6868
THR C6915
ALA C6966
1.71A14.79
SAM  C7105 ( 3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w75 NSP16
(SARS-CoV-2)		5 / 12
ASP A6912
ILE A6955
PHE A6868
THR A6915
ALA A6966
1.61A14.79
SAM  A7102 ( 3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 241
PHE C 147
ALA C 139
THR C 102
GLU C 124
1.78A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG C 138
PHE C 147
ALA C 144
THR C 102
ALA C 141
1.52A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG C 166
SER C 245
PHE C 173
PHE C 304
THR C 115
1.63A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 127
PHE A 147
ALA A 139
THR A 102
GLU A 124
1.56A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 304
PHE C 127
PHE C 147
ALA C 139
THR C 102
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 304
PHE B 127
PHE B 147
ALA B 139
THR B 102
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE C 127
PHE C 147
ALA C 139
THR C 102
GLU C 124
1.58A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG A 166
SER A 245
PHE A 173
PHE A 304
THR A 115
1.67A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE B 127
PHE B 147
ALA B 139
THR B 102
GLU B 124
1.57A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG B 138
PHE B 147
ALA B 144
THR B 102
ALA B 141
1.45A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
ARG B 166
SER B 245
PHE B 173
PHE B 304
THR B 115
1.54A
None
None
None
None
CL  B 502 ( 4.9A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
PHE A 304
PHE A 127
PHE A 147
ALA A 139
THR A 102
1.42A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wiq NSP7
NSP8
(SARS-CoV-2)		5 / 12
PHE B  92
ILE A  68
ALA A  65
ALA B  81
GLU A  74
1.79A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE A 314
PHE B 315
ILE A 304
PHE B 314
ALA A 313
1.79A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE B 314
PHE A 315
ILE B 304
PHE A 314
ALA B 313
1.79A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE C 314
PHE D 315
ILE C 304
PHE D 314
ALA C 313
1.78A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
PHE D 314
PHE C 315
ILE D 304
PHE C 314
ALA D 313
1.77A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
ILE A6955
PHE A6868
THR A6915
ALA A6966
1.62A
SAH  A7102 (-3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP C6912
PHE C6954
PHE C6868
THR C6915
ALA C6966
1.72A
SAH  C7102 (-3.3A)
None
None
FMT  C7107 (-3.7A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
PHE A6954
PHE A6868
THR A6915
ALA A6966
1.72A
SAH  A7102 (-3.5A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE C6948
THR C6934
ALA C6808
THR C6989
ALA C6966
1.65A
None
FMT  C7104 (-4.2A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP C6912
ILE C6955
PHE C6868
THR C6915
ALA C6966
1.61A
SAH  C7102 (-3.3A)
None
None
FMT  C7107 (-3.7A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE C6948
THR C6934
ALA C6808
THR C6989
ALA C6966
1.59A
None
FMT  C7104 (-4.2A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.62A
None
FMT  A7103 (-4.6A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.70A
None
FMT  A7103 (-4.6A)
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG C  89
ARG C  88
ARG C 107
1.60A13.32
None
None
MES  D 201 (-4.5A)
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG B  89
ARG B  88
ARG B 107
1.43A13.32
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG D  89
ARG D  88
ARG D 107
1.47A13.32
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		3 / 3
ARG A  89
ARG A  88
ARG A 107
1.51A13.32
None
None
MES  B 201 (-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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE C6948
THR C6934
ALA C6808
THR C6989
ALA C6966
1.65A
FMT  C7105 ( 4.4A)
FMT  C7104 ( 4.7A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.61A
None
FMT  A7105 ( 4.6A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
1.68A
None
FMT  A7105 ( 4.6A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP A6912
ILE A6955
PHE A6868
THR A6915
ALA A6966
1.62A
SFG  A7103 ( 3.3A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP A6912
PHE A6954
PHE A6868
THR A6915
ALA A6966
1.73A
SFG  A7103 ( 3.3A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP C6912
ILE C6955
PHE C6868
THR C6915
ALA C6966
1.61A
SFG  C7103 ( 3.4A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
ASP C6912
PHE C6954
PHE C6868
THR C6915
ALA C6966
1.73A
SFG  C7103 ( 3.4A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wkq NSP16
(SARS-CoV-2)		5 / 12
PHE C6948
THR C6934
ALA C6808
THR C6989
ALA C6966
1.73A
FMT  C7105 ( 4.4A)
FMT  C7104 ( 4.7A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
SER B  98
ILE B 108
THR B  49
ALA B  55
GLU B  57
1.40A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE B 123
ILE B 144
THR B  99
ALA B 161
THR B 167
1.69A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
SER A  98
ILE A 108
THR A  49
ALA A  55
GLU A  57
1.41A
None
None
None
None
EDO  A 403 (-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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		5 / 12
PHE A 123
ILE A 144
THR A  99
ALA A 161
THR A 167
1.70A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
PHE A6954
PHE A6868
THR A6915
ALA A6966
1.72A
SAH  A7101 (-3.3A)
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
PHE A6948
THR A6934
ALA A6808
THR A6989
ALA A6966
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		5 / 12
ASP A6912
ILE A6955
PHE A6868
THR A6915
ALA A6966
1.62A
SAH  A7101 (-3.3A)
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
PHE A 304
PHE A 127
PHE A 147
ALA A 139
THR A 102
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6wrh PEPTIDASE C16
(SARS-CoV-2)		5 / 12
ARG A 140
THR A 277
PHE A 147
ALA A 135
ALA A 141
1.75A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		5 / 12
PHE A 131
ASP A  23
ARG A  49
ALA A  10
ALA A  15
1.79A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 126
PHE A 134
THR A 141
PHE A 165
THR A 462
1.57A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 100
PHE A 219
ILE A  86
PHE A 192
ALA A 195
1.77A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
PHE A 441
ASP A 845
ARG A 836
SER A 814
ALA A 550
1.78A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 454
ARG A 457
ILE A 171
ALA A 176
THR A 252
1.73A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 623
ILE A 757
PHE A 694
THR A 680
ALA A 702
1.75A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 211
THR A 120
ALA A 176
THR A 252
ALA A 250
1.78A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7btf NSP12
(SARS-CoV-2)		5 / 12
ARG A 631
SER A 635
ILE A 632
THR A 701
ALA A 639
1.78A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ILE A 696
THR A 680
THR A 591
ALA A 580
1.59A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ILE A 696
THR A 680
THR A 591
ALA A 580
1.64A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 126
PHE A 134
THR A 141
PHE A 165
THR A 462
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 454
ARG A 457
ILE A 171
ALA A 176
THR A 252
1.73A
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ILE A 696
THR A 680
THR A 591
ALA A 580
1.51A
None
None
F86  P 102 ( 4.9A)
None
A  T  13 ( 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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 454
ARG A 457
ILE A 171
ALA A 176
THR A 252
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 684
ILE A 696
THR A 680
THR A 591
ALA A 580
1.53A
None
None
F86  P 102 ( 4.9A)
None
A  T  13 ( 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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
PHE A 321
PHE A 313
ILE A 466
PHE A 317
THR A 248
1.45A
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 126
PHE A 134
THR A 141
PHE A 165
THR A 462
1.59A
None