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Ligand

NameVismodegib
Molecular formulaC19H14Cl2N2O3S
IUPAC name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
Molecular weight421.292
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.8
SynonymsAS-14066
TC-149707
BG0661
Vismodegib [USAN:INN]
CTK8B8648
[ Show all ]
Inchi KeyBPQMGSKTAYIVFO-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
PubChem CID24776445
ChEMBLCHEMBL473417
IUPHAR6975
BindingDB50249522
DrugBankDB08828

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29800Smoothened homologQ99835SMOHomo sapiens (Human)787
29801Smoothened homologP56726SmoMus musculus (Mouse)793

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