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Target
Inositol hexakisphosphate kinase 1
Ligand
BDBM50525737
Substrate
n/a
Meas. Tech.
ChEMBL_1898002 (CHEMBL4400037)
IC50
89125±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:
BDBM50525737
Synonyms:
CHEMBL4550880
Type:
Small organic molecule
Emp. Form.:
C16H19FN6O
Mol. Mass.:
330.3601
SMILES:
COCCNc1nc(NCCc2ccc(F)cc2)nc2[nH]cnc12
Structure:
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