BioLiP

PDB

BioLiP

PDB CCD ID:

6M1

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2

InChI:

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

InChIKey:

XHYVBIXKORFHFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cccc(c1C(=O)O)N
CACTVS 3.385	Cc1cccc(N)c1C(O)=O
ACDLabs 12.01	O=C(O)c1c(cccc1N)C

Name:

2-amino-6-methylbenzoic acid

ZINC:

ZINC000000164443

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).