BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQB

Number of entries in BioLiP:

Chemical formula:

C29 H18 Cl F3 N2 O4

InChI:

InChI=1S/C29H18ClF3N2O4/c30-19-11-13-24-22(15-19)26(34-35(24)27(36)20-8-4-5-9-23(20)29(31,32)33)21-12-10-18(28(37)38)14-25(21)39-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,37,38)

InChIKey:

GFALUKOBLBRHBN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5C(F)(F)F)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4C(F)(F)F)c5ccc(Cl)cc35

Name:

4-[5-chloranyl-1-[2-(trifluoromethyl)phenyl]carbonyl-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).