BioLiP

PDB

BioLiP

PDB CCD ID:

A1IP3

Number of entries in BioLiP:

Chemical formula:

C28 H18 Cl2 N2 O4

InChI:

InChI=1S/C28H18Cl2N2O4/c29-19-11-13-24-22(15-19)26(31-32(24)27(33)20-8-4-5-9-23(20)30)21-12-10-18(28(34)35)14-25(21)36-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,34,35)

InChIKey:

XDNOEXMPEAPANB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5ccccc5Cl)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4ccccc4Cl)c5ccc(Cl)cc35

Name:

4-[5-chloranyl-1-(2-chlorophenyl)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).