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BioLiP

PDB CCD ID: ZV7
Number of entries in BioLiP: 0
Chemical formula: C5 H9 Cl N2 O2
InChI: InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2
InChIKey: QFHNLZAUZFBCAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CN(C(=O)CCl)N)C=O
CACTVS 3.385NN(CCC=O)C(=O)CCl
ACDLabs 12.01ClCC(=O)N(N)CCC=O
Name:2-chloro-N-(3-oxopropyl)acetohydrazide
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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