BioLiP

PDB

BioLiP

PDB CCD ID:

3M0

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

InChI=1S/C8H9NO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,9H2,1H3,(H,10,11)

InChIKey:

WNAJXPYVTFYEST-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(C(O)=O)c1N
ACDLabs 12.01	O=C(O)c1cccc(c1N)C
OpenEye OEToolkits 1.9.2	Cc1cccc(c1N)C(=O)O

Name:

2-azanyl-3-methyl-benzoic acid;
3-methylanthranilate

ZINC:

ZINC000000404287

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).