BioLiP

PDB

BioLiP

PDB CCD ID:

A1IP8

Number of entries in BioLiP:

Chemical formula:

C28 H17 Cl3 N2 O4

InChI:

InChI=1S/C28H17Cl3N2O4/c29-18-10-12-23-20(14-18)26(32-33(23)27(34)25-21(30)7-4-8-22(25)31)19-11-9-17(28(35)36)13-24(19)37-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,35,36)

InChIKey:

PKSLPWWJEIPYJF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)Cl)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(c(OCc2ccccc2)c1)c3nn(C(=O)c4c(Cl)cccc4Cl)c5ccc(Cl)cc35

Name:

4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-chloranyl-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).