BioLiP

PDB

BioLiP

PDB CCD ID:

VZC

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O

InChI:

InChI=1S/C10H10N2O/c1-12(10(13)7-8-11)9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChIKey:

TYNMTKVSZGKSFB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	CN(C(=O)CC#N)c1ccccc1
OpenEye OEToolkits 2.0.7	CN(c1ccccc1)C(=O)CC#N

Name:

2-cyano-N-methyl-N-phenylacetamide

ZINC:

ZINC000019502984

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).