BioLiP

PDB

BioLiP

PDB CCD ID:

PQT

Number of entries in BioLiP:

Chemical formula:

C11 H12 Cl N O2

InChI:

InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1

InChIKey:

FPGYADRKFPWWLU-MRVPVSSYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCN(C1)c2ccccc2Cl
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)N2CCC(C2)C(=O)O)Cl
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)N2CC[C@H](C2)C(=O)O)Cl
CACTVS 3.385	OC(=O)[C@@H]1CCN(C1)c2ccccc2Cl

Name:

(3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

ZINC:

ZINC000084499328

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).