SEQ2FUN

BioLiP

PDB CCD ID: UP8
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N O4
InChI: InChI=1S/C8H7NO4/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
InChIKey: WGLQHUKCXBXUDV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(c(c1)N)C(=O)O)C(=O)O
CACTVS 3.385Nc1cccc(C(O)=O)c1C(O)=O
Name:3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
ChEMBL: CHEMBL2420929
ZINC: ZINC000000389579
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).