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BioLiP

PDB CCD ID: Z30
Number of entries in BioLiP: 1
Chemical formula: C12 H20 N4 O
InChI: InChI=1S/C12H20N4O/c1-12(2,3)7-4-5-9-8(6-7)10(16-15-9)11(17)14-13/h7H,4-6,13H2,1-3H3,(H,14,17)(H,15,16)/t7-/m1/s1
InChIKey: WPAHESSOUBKEIY-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1
CACTVS 3.370CC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1
ACDLabs 12.01O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN
CACTVS 3.370CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
OpenEye OEToolkits 1.7.0CC(C)(C)[C@@H]1CCc2c(c(n[nH]2)C(=O)NN)C1
Name:(5R)-5-tert-butyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
ZINC: ZINC000000390033

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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