BioLiP

PDB

BioLiP

PDB CCD ID:

W4U

Number of entries in BioLiP:

Chemical formula:

C12 H13 Cl O2

InChI:

InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)

InChIKey:

QJNFJEMGWIQMJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C2(CCCC2)C(=O)O)Cl
CACTVS 3.385	OC(=O)C1(CCCC1)c2ccc(Cl)cc2

Name:

1-(4-chlorophenyl)cyclopentane-1-carboxylic 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).