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BioLiP

PDB CCD ID: BYD
Number of entries in BioLiP: 0
Chemical formula: C8 H8 N2 O4
InChI: InChI=1S/C8H8N2O4/c11-7(9-13)5-1-2-6(4-3-5)8(12)10-14/h1-4,13-14H,(H,9,11)(H,10,12)
InChIKey: YAJCYOUHZABXFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)c1ccc(cc1)C(=O)NO
OpenEye OEToolkits 1.9.2c1cc(ccc1C(=O)NO)C(=O)NO
ACDLabs 12.01c1cc(ccc1C(NO)=O)C(NO)=O
Name:N,N'-dihydroxybenzene-1,4-dicarboxamide
ChEMBL: CHEMBL1979892
ZINC: ZINC000004809443
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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