BioLiP

PDB

BioLiP

PDB CCD ID:

A1JL1

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O3

InChI:

InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)

InChIKey:

RGDPZMQZWZMONQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)Nc1cccc(c1)C(=O)O
CACTVS 3.385	CC(=O)Nc1cccc(c1)C(O)=O

Name:

3-acetamidobenzoic acid

ChEMBL:

CHEMBL116095

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).