BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3A

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O

InChI:

InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2/t9-/m0/s1

InChIKey:

CLKQZOVQZNETMH-VIFPVBQESA-N

SMILES:

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

Name:

(3~{S})-3-azanyl-1-phenyl-pyrrolidin-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).