BioLiP

PDB

BioLiP

PDB CCD ID:

PUE

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O2

InChI:

InChI=1S/C11H13NO2/c13-11(14)9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)/t9-/m1/s1

InChIKey:

IOFLKIRLUFZCHR-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CCC(C2)C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCN(C1)c2ccccc2
CACTVS 3.385	OC(=O)[C@@H]1CCN(C1)c2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)N2CC[C@H](C2)C(=O)O

Name:

(3~{R})-1-phenylpyrrolidine-3-carboxylic acid

ZINC:

ZINC000020357882

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).