SEQ2FUN

BioLiP

PDB CCD ID: 8G0
Number of entries in BioLiP: 2
Chemical formula: C8 H6 O4
InChI: InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey: QQVIHTHCMHWDBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1cccc(c1)C(O)=O
Name:benzene-1,3-dicarboxylic acid
ChEMBL: CHEMBL1871181
ZINC: ZINC000003845021
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).