BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQJ

Number of entries in BioLiP:

Chemical formula:

C29 H19 Cl2 F3 N2 O3

InChI:

InChI=1S/C29H19Cl2F3N2O3/c30-19-10-12-25-21(14-19)27(35-36(25)15-22-23(29(32,33)34)7-4-8-24(22)31)20-11-9-18(28(37)38)13-26(20)39-16-17-5-2-1-3-6-17/h1-14H,15-16H2,(H,37,38)

InChIKey:

ZTLYNNOYNSOQHJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)Cc5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(Cc4c(Cl)cccc4C(F)(F)F)c5ccc(Cl)cc35

Name:

4-[5-chloranyl-1-[[2-chloranyl-6-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-3-phenylmethoxy-benzoic acid

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).