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Target
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Ligand
BDBM50511419
Substrate
n/a
Meas. Tech.
ChEMBL_1844801 (CHEMBL4345228)
IC50
2000±n/a nM
Citation
 Manz, TD; Sivakumaren, SC; Yasgar, A; Hall, MD; Davis, MI; Seo, HS; Card, JD; Ficarro, SB; Shim, H; Marto, JA; Dhe-Paganon, S; Sasaki, AT; Boxer, MB; Simeonov, A; Cantley, LC; Shen, M; Zhang, T; Ferguson, FM; Gray, NS Structure-Activity Relationship Study of Covalent Pan-phosphatidylinositol 5-Phosphate 4-Kinase Inhibitors. ACS Med Chem Lett 11:346-352 (2020) [PubMed]  Article 
Target
Name:
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Synonyms:
1-phosphatidylinositol 5-phosphate 4-kinase 2-alpha | 2.7.1.149 | Diphosphoinositide kinase 2-alpha | PI(5)P 4-kinase type II alpha | PI42A_HUMAN | PI5P4KA | PIP4K2A | PIP4KII-alpha | PIP5K2 | PIP5K2A | PIP5KIII | Phosphatidylinositol 5-phosphate 4-kinase type II alpha | Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha | PtdIns(4)P-5-kinase B isoform | PtdIns(4)P-5-kinase C isoform | PtdIns(5)P-4-kinase isoform 2-alpha
Type:
PROTEIN
Mol. Mass.:
46228.59
Organism:
Homo sapiens
Description:
ChEMBL_104274
Residue:
406
Sequence:
MATPGNLGSSVLASKTKTKKKHFVAQKVKLFRASDPLLSVLMWGVNHSINELSHVQIPVMLMPDDFKAYSKIKVDNHLFNKENMPSHFKFKEYCPMVFRNLRERFGIDDQDFQNSLTRSAPLPNDSQARSGARFHTSYDKRYIIKTITSEDVAEMHNILKKYHQYIVECHGITLLPQFLGMYRLNVDGVEIYVIVTRNVFSHRLSVYRKYDLKGSTVAREASDKEKAKELPTLKDNDFINEGQKIYIDDNNKKVFLEKLKKDVEFLAQLKLMDYSLLVGIHDVERAEQEEVECEENDGEEEGESDGTHPVGTPPDSPGNTLNSSPPLAPGEFDPNIDVYGIKCHENSPRKEVYFMAIIDILTHYDAKKKAAHAAKTVKHGAGAEISTVNPEQYSKRFLDFIGHILT
  
Inhibitor
Name:
BDBM50511419
Synonyms:
CHEMBL4517979
Type:
Small organic molecule
Emp. Form.:
C30H34N8O2
Mol. Mass.:
538.6434
SMILES:
CN(C)C\C=C\C(=O)NC1CCC(CC1)C(=O)Nc1cccc(Nc2cc(ncn2)-c2cnc3[nH]ccc3c2)c1 |(4.78,-11.85,;6.12,-11.08,;6.12,-9.54,;7.45,-11.85,;8.78,-11.08,;10.12,-11.85,;11.45,-11.08,;11.45,-9.54,;12.78,-11.85,;14.11,-11.08,;15.44,-11.85,;16.78,-11.08,;16.78,-9.54,;15.44,-8.77,;14.11,-9.54,;18.11,-8.77,;18.11,-7.23,;19.44,-9.54,;20.77,-8.77,;20.77,-7.23,;22.11,-6.46,;23.44,-7.24,;23.44,-8.76,;24.78,-9.53,;26.11,-8.76,;27.45,-9.54,;28.78,-8.76,;28.78,-7.23,;27.44,-6.46,;26.11,-7.22,;30.11,-9.53,;30.11,-11.08,;31.44,-11.84,;32.77,-11.07,;34.24,-11.54,;35.14,-10.3,;34.24,-9.05,;32.77,-9.53,;31.44,-8.76,;22.12,-9.54,)|
Structure:
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