SEQ2FUN

BioLiP

PDB CCD ID: GM7
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey: OXSANYRLJHSQEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc(C(O)=O)c(c1)C(O)=O
ACDLabs 12.01C(O)(c1cc(ccc1C(O)=O)N)=O
OpenEye OEToolkits 2.0.6c1cc(c(cc1N)C(=O)O)C(=O)O
Name:4-aminobenzene-1,2-dicarboxylic acid
ChEMBL: CHEMBL3278349
ZINC: ZINC000000403420
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).