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BioLiP

PDB CCD ID: 3F7
Number of entries in BioLiP: 2
Chemical formula: C14 H8 N2 O4
InChI: InChI=1S/C14H8N2O4/c17-11-5-6-12(18)15(11)9-1-2-10(4-3-9)16-13(19)7-8-14(16)20/h1-8H
InChIKey: AQGZJQNZNONGKY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C3C=CC(=O)N3c1ccc(cc1)N2C(=O)C=CC2=O
CACTVS 3.385O=C1C=CC(=O)N1c2ccc(cc2)N3C(=O)C=CC3=O
OpenEye OEToolkits 1.9.2c1cc(ccc1N2C(=O)C=CC2=O)N3C(=O)C=CC3=O
Name:1,1'-benzene-1,4-diylbis(1H-pyrrole-2,5-dione)
ChEMBL: CHEMBL576594
ZINC: ZINC000000156949
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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