BioLiP

PDB

BioLiP

PDB CCD ID:

N6X

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O

InChI:

InChI=1S/C15H14N4O/c1-10-13(17)8-18-9-14(10)19-15(20)6-11-3-2-4-12(5-11)7-16/h2-5,8-9H,6,17H2,1H3,(H,19,20)

InChIKey:

MDGSUONMRGWOAQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cncc1NC(=O)Cc2cccc(c2)C#N)N
CACTVS 3.385	Cc1c(N)cncc1NC(=O)Cc2cccc(c2)C#N
ACDLabs 12.01	O=C(Nc1cncc(N)c1C)Cc1cccc(C#N)c1

Name:

N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)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).