BioLiP

PDB

BioLiP

PDB CCD ID:

YG0

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O

InChI:

InChI=1S/C10H11NO/c12-10(8-6-7-8)11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,11,12)

InChIKey:

OCHYJSATRBHPLB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)NC(=O)C2CC2
CACTVS 3.385	O=C(Nc1ccccc1)C2CC2
ACDLabs 12.01	O=C(Nc1ccccc1)C1CC1

Name:

N-phenylcyclopropanecarboxamide

ZINC:

ZINC000013953909

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).