BioLiP

PDB

BioLiP

PDB CCD ID:

L77

Number of entries in BioLiP:

Chemical formula:

C22 H15 Cl F4 N2 O3 S

InChI:

InChI=1S/C22H15ClF4N2O3S/c23-17-5-2-6-18(24)20(17)21(30)28-15-8-7-13-9-10-29(19(13)12-15)33(31,32)16-4-1-3-14(11-16)22(25,26)27/h1-8,11-12H,9-10H2,(H,28,30)

InChIKey:

QZUQDSDXWBNSPD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F
CACTVS 3.385	Fc1cccc(Cl)c1C(=O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4)C(F)(F)F
ACDLabs 12.01	N(C(=O)c1c(cccc1Cl)F)c2cc3N(CCc3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F

Name:

2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).