BioLiP

PDB

BioLiP

PDB CCD ID:

S4I

Number of entries in BioLiP:

Chemical formula:

C11 H10 Cl N O3

InChI:

InChI=1S/C11H10ClNO3/c12-8-3-1-7(2-4-8)5-13-6-9(14)10(15)11(13)16/h1-4,10,15H,5-6H2/t10-/m0/s1

InChIKey:

PFMGUYCPWRXKBL-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[C@H]1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
CACTVS 3.385	O[CH]1C(=O)CN(Cc2ccc(Cl)cc2)C1=O
OpenEye OEToolkits 2.0.7	c1cc(ccc1CN2CC(=O)C(C2=O)O)Cl
ACDLabs 12.01	Clc1ccc(CN2CC(=O)C(O)C2=O)cc1

Name:

(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxypyrrolidine-2,4-dione

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).