BioLiP

PDB

BioLiP

PDB CCD ID:

LGR

Number of entries in BioLiP:

Chemical formula:

C10 H11 N O3

InChI:

InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)

InChIKey:

VCOQVAJFXPHUAM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C(C)=O)c1ccccc1C(O)=O
OpenEye OEToolkits 2.0.7	CC(=O)N(C)c1ccccc1C(=O)O
ACDLabs 12.01	CN(C(C)=O)c1ccccc1C(=O)O

Name:

2-[acetyl(methyl)amino]benzoic acid

ZINC:

ZINC000000294875

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).