BioLiP

PDB

BioLiP

PDB CCD ID:

A1AX3

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O

InChI:

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

InChIKey:

IZAYISYTIWLBNB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(C(N)=O)c1C
OpenEye OEToolkits 2.0.7	Cc1cccc(c1C)C(=O)N
ACDLabs 12.01	O=C(N)c1cccc(C)c1C

Name:

2,3-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).