BioLiP

PDB

BioLiP

PDB CCD ID:

A1IQL

Number of entries in BioLiP:

Chemical formula:

C30 H23 Cl N2 O4

InChI:

InChI=1S/C30H23ClN2O4/c1-18-7-6-8-19(2)27(18)29(34)33-25-14-12-22(31)16-24(25)28(32-33)23-13-11-21(30(35)36)15-26(23)37-17-20-9-4-3-5-10-20/h3-16H,17H2,1-2H3,(H,35,36)

InChIKey:

UPOUJJCANLJBJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccccc5)C(=O)O)Cl)C
CACTVS 3.385	Cc1cccc(C)c1C(=O)n2nc(c3ccc(cc3OCc4ccccc4)C(O)=O)c5cc(Cl)ccc25

Name:

4-[5-chloranyl-1-(2,6-dimethylphenyl)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).