BioLiP

PDB

BioLiP

PDB CCD ID:

UA0

Number of entries in BioLiP:

Chemical formula:

C12 H15 Cl N2 O

InChI:

InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16)

InChIKey:

LYOGVEMYZLFKJY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1cccc(NC(=O)CN2CCCC2)c1
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)Cl)NC(=O)CN2CCCC2

Name:

~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide

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).