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BioLiP

PDB CCD ID: PMA
Number of entries in BioLiP: 2
Chemical formula: C10 H6 O8
InChI: InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey: CYIDZMCFTVVTJO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O
OpenEye OEToolkits 1.5.0c1c(c(cc(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
Name:PYROMELLITIC ACID
ChEMBL: CHEMBL1235346
DrugBank: DB02749
ZINC: ZINC000000391925
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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