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BioLiP

PDB CCD ID: PWT
Number of entries in BioLiP: 2
Chemical formula: C13 H16 N2 O4
InChI: InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19)
InChIKey: WAEOIFKXEDZIQC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CNNC(=O)CCCC=O)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1CNNC(=O)CCCC=O
Name:2-[[2-(5-oxidanylidenepentanoyl)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)(download the PDF file).
  • 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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