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BioLiP

PDB CCD ID: F02
Number of entries in BioLiP: 2
Chemical formula: C11 H17 N3 O
InChI: InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKey: PUNSOBLTEWFAMJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCN(CC)c1ccc(cc1)C(=O)NN
ACDLabs 12.01O=C(c1ccc(N(CC)CC)cc1)NN
Name:4-(diethylamino)benzohydrazide
ChEMBL: CHEMBL1358859
ZINC: ZINC000002574323
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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