BioLiP

PDB

BioLiP

PDB CCD ID:

VXG

Number of entries in BioLiP:

Chemical formula:

C13 H15 N O3

InChI:

InChI=1S/C13H15NO3/c1-9(15)14-7-11(12(8-14)13(16)17)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,17)/t11-,12+/m0/s1

InChIKey:

UJHLINFGICYWPQ-NWDGAFQWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1C[C@H]([C@@H](C1)c2ccccc2)C(O)=O
ACDLabs 12.01	N2(C(C)=O)CC(c1ccccc1)C(C2)C(=O)O
OpenEye OEToolkits 2.0.7	CC(=O)N1CC(C(C1)C(=O)O)c2ccccc2
CACTVS 3.385	CC(=O)N1C[CH]([CH](C1)c2ccccc2)C(O)=O
OpenEye OEToolkits 2.0.7	CC(=O)N1C[C@H]([C@@H](C1)C(=O)O)c2ccccc2

Name:

(3S,4R)-1-acetyl-4-phenylpyrrolidine-3-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).