BioLiP

PDB

BioLiP

PDB CCD ID:

12T

Number of entries in BioLiP:

Chemical formula:

C8 H7 N O4

InChI:

InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)

InChIKey:

GPNNOCMCNFXRAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(c(cc1C(=O)O)N)C(=O)O
ACDLabs 12.01	O=C(O)c1cc(N)c(C(=O)O)cc1
CACTVS 3.370	Nc1cc(ccc1C(O)=O)C(O)=O

Name:

2-aminobenzene-1,4-dicarboxylic acid

ZINC:

ZINC000000389863

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).