BioLiP

PDB

BioLiP

PDB CCD ID:

A1E4R

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl O2

InChI:

InChI=1S/C13H9ClO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)

InChIKey:

FIMRRWLTRBEAOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1c2ccc(cc2)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1ccc(cc1)c2ccc(Cl)cc2

Name:

4-(4-chlorophenyl)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).