BioLiP

PDB

BioLiP

PDB CCD ID:

A1BTF

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O2

InChI:

InChI=1S/C16H16N2O2/c1-10-7-8-12(9-13(10)15(17)19)16(20)18-14-6-4-3-5-11(14)2/h3-9H,1-2H3,(H2,17,19)(H,18,20)

InChIKey:

MQPWOZBWSFDFOW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ccccc1NC(=O)c2ccc(c(c2)C(=O)N)C
CACTVS 3.385	Cc1ccccc1NC(=O)c2ccc(C)c(c2)C(N)=O
ACDLabs 14.52	O=C(Nc1ccccc1C)c1ccc(C)c(c1)C(N)=O

Name:

4-methyl-N~1~-(2-methylphenyl)benzene-1,3-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).