Molecule Info: Vismodegib
Smiles:
O=C(c1ccc(cc1Cl)S(=O)(=O)C)Nc1ccc(c(c1)c1ccccn1)Cl


InChIKey:
BPQMGSKTAYIVFO-MPIMZMORNA-N

InChI:
1/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)/f/h23H

InChIcol:
1

+info (from its Standard Form):
Vismodegib

Complex structures in which this molecule appears :
Complex Structure ID: 191

References in which this molecule is mentioned:

Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, et al.. 2020. GPCRmd uncovers the dynamics of the 3D-GPCRome. Nature methods 17 (8). doi: 10.1038/s41592-020-0884-y.



Image of the Specific State: