BioLiP

PDB

BioLiP

PDB CCD ID:

ZZ8

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O3

InChI:

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

InChIKey:

QSACCXVHEVWNMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(Nc1ccccc1C(=O)O)C
CACTVS 3.352	CC(=O)Nc1ccccc1C(O)=O
OpenEye OEToolkits 1.6.1	CC(=O)Nc1ccccc1C(=O)O

Name:

2-(ACETYLAMINO)BENZOIC ACID;
N-ACETYLANTHRANILATE

ZINC:

ZINC000000037858

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).