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-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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 12
ASN C  37
SER C  10
GLN A  18
LEU D  91
MET D  90
1.74A9.39
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ASN A  37
SER A  10
GLN C  18
LEU B  91
MET B  90
1.65A7.80
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)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 12
ASN C  37
SER C  10
GLN A  18
LEU D  91
MET D  90
1.62A7.80
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)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 454
SER A 451
TYR A 455
ARG A 624
LEU A 544
1.62A20.40
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.
5L7I_A_VISA1202_1
(SMOOTHENED
HOMOLOG,SOLUBLE
CYTOCHROME
B562,SMOOTHENED
HOMOLOG)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 454
SER A 451
TYR A 455
ARG A 624
LEU A 544
1.63A20.40
None