BioLiP

PDB

BioLiP

PDB CCD ID:

14F

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O4

InChI:

InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)

InChIKey:

HJVAVGOPTDJYOJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	COc1cc(N)c(cc1OC)C(O)=O
ACDLabs 12.01	O=C(O)c1c(cc(OC)c(OC)c1)N
OpenEye OEToolkits 1.7.0	COc1cc(c(cc1OC)N)C(=O)O

Name:

2-amino-4,5-dimethoxybenzoic acid

ZINC:

ZINC000000154784

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).