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BioLiP

PDB CCD ID: TMM
Number of entries in BioLiP: 9
Chemical formula: C9 H6 O6
InChI: InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)
InChIKey: QMKYBPDZANOJGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(cc(c1)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0c1c(cc(cc1C(=O)O)C(=O)O)C(=O)O
ACDLabs 10.04O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O
Name:1,3,5-BENZENETRICARBOXYLIC ACID
ChEMBL: CHEMBL77562
DrugBank: DB08632
ZINC: ZINC000000391981
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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