Reaction Details Report a problem with these data
Target
Inositol hexakisphosphate kinase 2
Ligand
BDBM50525744
Substrate
n/a
Meas. Tech.
ChEMBL_1897996 (CHEMBL4400031)
Ki
4880±n/a nM
Citation
 Wormald, MM; Ernst, G; Wei, H; Barrow, JC Synthesis and characterization of novel isoform-selective IP6K1 inhibitors. Bioorg Med Chem Lett 29:0 (2019) [PubMed]  Article 
Target
Name:
Inositol hexakisphosphate kinase 2
Synonyms:
2.7.4.- | IHPK2 | IP6K2 | IP6K2_HUMAN | Inositol hexakisphosphate kinase 2 | InsP6 kinase 2 | InsP6K2 | P(i)-uptake stimulator | PiUS
Type:
PROTEIN
Mol. Mass.:
49188.38
Organism:
Homo sapiens
Description:
ChEMBL_119238
Residue:
426
Sequence:
MSPAFRAMDVEPRAKGVLLEPFVHQVGGHSCVLRFNETTLCKPLVPREHQFYETLPAEMRKFTPQYKGVVSVRFEEDEDRNLCLIAYPLKGDHGIVDIVDNSDCEPKSKLLRWTTNKKHHVLETEKTPKDWVRQHRKEEKMKSHKLEEEFEWLKKSEVLYYTVEKKGNISSQLKHYNPWSMKCHQQQLQRMKENAKHRNQYKFILLENLTSRYEVPCVLDLKMGTRQHGDDASEEKAANQIRKCQQSTSAVIGVRVCGMQVYQAGSGQLMFMNKYHGRKLSVQGFKEALFQFFHNGRYLRRELLGPVLKKLTELKAVLERQESYRFYSSSLLVIYDGKERPEVVLDSDAEDLEDLSEESADESAGAYAYKPIGASSVDVRMIDFAHTTCRLYGEDTVVHEGQDAGYIFGLQSLIDIVTEISEESGE
  
Inhibitor
Name:
BDBM50525744
Synonyms:
CHEMBL4555782
Type:
Small organic molecule
Emp. Form.:
C22H22N8O2
Mol. Mass.:
430.4625
SMILES:
COc1ccc2c(CCNc3nc(NCc4ccc(=O)[nH]c4)c4nc[nH]c4n3)c[nH]c2c1
Structure:
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