BioLiP

PDB

BioLiP

PDB CCD ID:

UGP

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O

InChI:

InChI=1S/C15H13N3O/c1-11-5-6-17-10-14(11)18-15(19)8-12-3-2-4-13(7-12)9-16/h2-7,10H,8H2,1H3,(H,18,19)

InChIKey:

OTFRLGRHXMKEAF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)Cc2cccc(c2)C#N
ACDLabs 12.01	N(C(Cc1cccc(C#N)c1)=O)c2cnccc2C

Name:

2-(3-cyanophenyl)-N-(4-methylpyridin-3-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).