BioLiP

PDB

BioLiP

PDB CCD ID:

GF7

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O4

InChI:

InChI=1S/C13H13NO4/c1-8(15)9-2-4-11(5-3-9)14-7-10(13(17)18)6-12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)/t10-/m0/s1

InChIKey:

SQGYWRZISBCKMW-JTQLQIEISA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(c1ccc(cc1)N2C(=O)CC(C(=O)O)C2)C
OpenEye OEToolkits 1.5.0	CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O
CACTVS 3.341	CC(=O)c1ccc(cc1)N2C[CH](CC2=O)C(O)=O
CACTVS 3.341	CC(=O)c1ccc(cc1)N2C[C@H](CC2=O)C(O)=O
OpenEye OEToolkits 1.5.0	CC(=O)c1ccc(cc1)N2CC(CC2=O)C(=O)O

Name:

(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid

DrugBank:

DB07825

ZINC:

ZINC000003260002

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).