BioLiP

PDB

BioLiP

PDB CCD ID:

A1BB3

Number of entries in BioLiP:

Chemical formula:

C11 H13 F N2 O

InChI:

InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3

InChIKey:

LXSCPIWTZCIAIQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	Fc1ccccc1N1CCC(NC)C1=O
CACTVS 3.385 OpenEye OEToolkits 3.1.0.0	CN[C@H]1CCN(C1=O)c2ccccc2F
OpenEye OEToolkits 3.1.0.0	CNC1CCN(C1=O)c2ccccc2F
CACTVS 3.385	CN[CH]1CCN(C1=O)c2ccccc2F

Name:

(3R)-1-(2-fluorophenyl)-3-(methylamino)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).