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Target
Inositol hexakisphosphate kinase 1
Ligand
BDBM50525759
Substrate
n/a
Meas. Tech.
ChEMBL_1898002 (CHEMBL4400037)
IC50
1950±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 1
Synonyms:
2.7.4.21 | IHPK1 | IP6K1 | IP6K1_HUMAN | Inositol hexakisphosphate kinase 1 | Inositol hexaphosphate kinase 1 | InsP6 kinase 1 | KIAA0263
Type:
PROTEIN
Mol. Mass.:
50242.08
Organism:
Homo sapiens
Description:
ChEMBL_119168
Residue:
441
Sequence:
MCVCQTMEVGQYGKNASRAGDRGVLLEPFIHQVGGHSSMMRYDDHTVCKPLISREQRFYESLPPEMKEFTPEYKGVVSVCFEGDSDGYINLVAYPYVESETVEQDDTTEREQPRRKHSRRSLHRSGSGSDHKEEKASLSLETSESSQEAKSPKVELHSHSEVPFQMLDGNSGLSSEKISHNPWSLRCHKQQLSRMRSESKDRKLYKFLLLENVVHHFKYPCVLDLKMGTRQHGDDASAEKAARQMRKCEQSTSATLGVRVCGMQVYQLDTGHYLCRNKYYGRGLSIEGFRNALYQYLHNGLDLRRDLFEPILSKLRGLKAVLERQASYRFYSSSLLVIYDGKECRAESCLDRRSEMRLKHLDMVLPEVASSCGPSTSPSNTSPEAGPSSQPKVDVRMIDFAHSTFKGFRDDPTVHDGPDRGYVFGLENLISIMEQMRDENQ
  
Inhibitor
Name:
BDBM50525759
Synonyms:
CHEMBL4465245
Type:
Small organic molecule
Emp. Form.:
C19H23N7O
Mol. Mass.:
365.4322
SMILES:
COCCNc1nc(NCCc2c(C)[nH]c3ccccc23)nc2[nH]cnc12
Structure:
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