BioLiP

PDB

BioLiP

PDB CCD ID:

Z30

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)(C)C1CCc2c(c(n[nH]2)C(=O)NN)C1
CACTVS 3.370	CC(C)(C)[CH]1CCc2[nH]nc(C(=O)NN)c2C1
ACDLabs 12.01	O=C(c1nnc2c1CC(CC2)C(C)(C)C)NN
CACTVS 3.370	CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NN)c2C1
OpenEye OEToolkits 1.7.0	CC(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, Lydia 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).