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BioLiP

PDB CCD ID: PWW
Number of entries in BioLiP: 1
Chemical formula: C13 H14 N2 O4
InChI: InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+
InChIKey: UZWVZLUSNSIXTA-NTEUORMPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=NNC(=O)CCCC=O)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O
OpenEye OEToolkits 2.0.7c1cc(ccc1/C=N/NC(=O)CCCC=O)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)/C=N/NC(=O)CCCC=O
Name:4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid
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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