BioLiP

PDB

BioLiP

PDB CCD ID:

A1BN5

Number of entries in BioLiP:

Chemical formula:

C14 H13 N3 O2

InChI:

InChI=1S/C14H13N3O2/c1-9-4-2-3-5-12(9)17-14(19)11-6-10(13(15)18)7-16-8-11/h2-8H,1H3,(H2,15,18)(H,17,19)

InChIKey:

UWNHLJGYVVRCPX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccccc1NC(=O)c2cc(cnc2)C(=O)N
ACDLabs 14.52	O=C(Nc1ccccc1C)c1cc(cnc1)C(N)=O
CACTVS 3.385	Cc1ccccc1NC(=O)c2cncc(c2)C(N)=O

Name:

N~3~-(2-methylphenyl)pyridine-3,5-dicarboxamide

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).