BioLiP

PDB

BioLiP

PDB CCD ID:

S0P

Number of entries in BioLiP:

Chemical formula:

C9 H8 N2 O

InChI:

InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)

InChIKey:

UFKRTEWFEYWIHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)Nc1ccc(cc1)C#N

Name:

~{N}-(4-cyanophenyl)ethanamide

ZINC:

ZINC000000127805

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).