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BioLiP

PDB CCD ID: PWQ
Number of entries in BioLiP: 1
Chemical formula: C12 H12 N2 O4
InChI: InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+
InChIKey: YBTAMVPSZKNTLP-MDWZMJQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1C=NNC(=O)CCC=O)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)/C=N/NC(=O)CCC=O
OpenEye OEToolkits 2.0.7c1cc(ccc1/C=N/NC(=O)CCC=O)C(=O)O
CACTVS 3.385OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O
Name:4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]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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