Ligand ID: VIS


Drugbank ID:
DB08828
(Vismodegib)


Indication:
Vismodegib is used for treating locally advanced or metastatic basal cell carcinoma in patients whose carcinoma has recurred after surgery, and in patients who are not candidates for surgery or radiation.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'VIS' 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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
SER B   1
GLN A 189
PHE A 185
ASN A 142
LEU A 141
1.66A20.87
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
REPLICASE
POLYPROTEIN 1AB,
LIGHT CHAIN
(SARSr-CoV)		5 / 12
SER C  59
ARG G 195
PHE H  11
GLU C  55
LEU G 108
1.52A9.16
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TRP B 477
SER B 502
ASP B 269
LEU B 456
MET B 455
1.60A21.08
 CL  B 902 ( 4.5A)
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		3m3s 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
SER B   1
GLN A 189
PHE A 185
ASN A 142
LEU A 141
1.50A20.87
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
TRP A 477
SER A 502
ASP A 269
LEU A 456
MET A 455
1.69A21.04
 CL  A 902 (-4.5A)
CL  A 902 ( 4.8A)
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
ASN A 304
ASP B 719
GLN B 835
PHE A 305
LEU B 948
1.51A18.95
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER B 211
GLN B 280
PRO B  61
ASN B 214
LEU B 216
1.64A18.96
SER  B 211 ( 0.0A)
GLN  B 280 ( 0.6A)
PRO  B  61 ( 1.1A)
ASN  B 214 ( 0.6A)
LEU  B 216 ( 0.5A)
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6acg SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN A 838
TYR A 723
PHE A 837
ASN A 746
LEU A 749
1.64A18.96
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6lzg ACE2
(Homo
sapiens)		5 / 12
TRP A 477
SER A 502
ASP A 269
LEU A 456
MET A 455
1.62A21.58
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6m0j ACE2
(Homo
sapiens)		5 / 12
TRP A 477
SER A 502
ASP A 269
LEU A 456
MET A 455
1.69A21.55
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6nb6 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASN B 960
SER B 728
ARG C 306
ASN B 721
LEU B 735
1.79A19.09
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.
5L7I_B_VISB1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6nur NSP12
(SARSr-CoV)		5 / 12
ASP A 454
SER A 451
TYR A 455
ARG A 624
LEU A 544
1.66A20.12
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6nur NSP12
(SARSr-CoV)		5 / 12
ASP A 454
SER A 451
TYR A 455
ARG A 624
LEU A 544
1.66A20.12
None