BioLiP

PDB

BioLiP

PDB CCD ID:

A1AXD

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

InChI=1S/C9H11NO/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H2,10,11)

InChIKey:

INGCXEIJXKQPJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1C)C(=O)N
ACDLabs 12.01 CACTVS 3.385	Cc1ccc(cc1C)C(N)=O

Name:

3,4-dimethylbenzamide

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).