BioLiP

PDB

BioLiP

PDB CCD ID:

A1A3P

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O2

InChI:

InChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18)

InChIKey:

BTFSIMIIDGGVRU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
OpenEye OEToolkits 3.1.0.0	CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
ACDLabs 14.52	O=C(Nc1ccc(cc1)C(C)=O)CN1CCCC1

Name:

N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide

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).