BioLiP

PDB

BioLiP

PDB CCD ID:

RLG

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O

InChI:

InChI=1S/C11H13NO/c1-12-8-10(7-11(12)13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3/t10-/m0/s1

InChIKey:

NJSMSOSBMMZSSB-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C[CH](CC1=O)c2ccccc2
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1C[C@H](CC1=O)c2ccccc2
ACDLabs 12.01 OpenEye OEToolkits 2.0.7	CN1CC(CC1=O)c2ccccc2

Name:

(4R)-1-methyl-4-phenylpyrrolidin-2-one

ChEMBL:

CHEMBL4778271

ZINC:

ZINC000071773439

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).