BioLiP

PDB

BioLiP

PDB CCD ID:

A1IG7

Number of entries in BioLiP:

Chemical formula:

C5 H9 N O

InChI:

InChI=1S/C5H9NO/c1-4-2-3-5(7)6-4/h4H,2-3H2,1H3,(H,6,7)/t4-/m0/s1

InChIKey:

YVIVRJLWYJGJTJ-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CCC(=O)N1
CACTVS 3.385	C[CH]1CCC(=O)N1
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CCC(=O)N1

Name:

(5~{S})-5-methylpyrrolidin-2-one

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).