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BioLiP

PDB CCD ID: Z46
Number of entries in BioLiP: 1
Chemical formula: C11 H18 N4 O
InChI: InChI=1S/C11H18N4O/c1-2-3-7-4-5-9-8(6-7)10(15-14-9)11(16)13-12/h7H,2-6,12H2,1H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKey: WRCCTRXGCPABER-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCC[CH]1CCc2[nH]nc(C(=O)NN)c2C1
CACTVS 3.370CCC[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
OpenEye OEToolkits 1.7.0CCC[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1
ACDLabs 12.01O=C(c1nnc2c1CC(CC2)CCC)NN
OpenEye OEToolkits 1.7.0CCCC1CCc2c(c(n[nH]2)C(=O)NN)C1
Name:(5R)-5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
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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