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BioLiP

PDB CCD ID: WEU
Number of entries in BioLiP: 2
Chemical formula: C11 H14 Cl N3 O2
InChI: InChI=1S/C11H14ClN3O2/c1-8(16)13-14-11(17)7-15(2)10-5-3-9(12)4-6-10/h3-6H,7H2,1-2H3,(H,13,16)(H,14,17)
InChIKey: HVHGXWXMENEHFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CN(CC(=O)NNC(C)=O)c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.7CC(=O)NNC(=O)CN(C)c1ccc(cc1)Cl
Name:2-[(4-chlorophenyl)-methyl-amino]-~{N}'-ethanoyl-ethanehydrazide
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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