Reaction Details  Report a problem with these data
Target
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma
Ligand
BDBM657155
Substrate
n/a
Meas. Tech.
PI3K-gamma Scintillation Proximity Assay
IC50
<100±n/a nM
Citation
 Shepard, S; Combs, AP; Falahatpisheh, N; Shao, L Aminopyrazine diol compounds as PI3K-γ inhibitors US Patent  US11926616 Publication Date 3/12/2024
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Synonyms:
PI3-kinase p110 subunit gamma | PI3-kinase subunit p120-gamma | PI3Kgamma | PIK3CG | PK3CG_HUMAN | Phosphatidylinositol 4,5-biphosphate 3-kinase catalytic subunit gamma (PIK3CG) | Phosphatidylinositol 4,5-bisphosphate 3-kinase (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma (PI3K gamma) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma (PI3Kgamma) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3K gamma) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (PI3Kgamma) | Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Phosphoinositide 3-Kinase (PI3K), gamma Chain A | Phosphoinositide 3-kinases gamma (PI3K gamma) | Phosphoinositide-3-kinase (PI3K gamma) | p120-PI3K
Type:
Enzyme Subunit
Mol. Mass.:
126470.30
Organism:
Homo sapiens (Human)
Description:
P48736
Residue:
1102
Sequence:
MELENYKQPVVLREDNCRRRRRMKPRSAAASLSSMELIPIEFVLPTSQRKCKSPETALLHVAGHGNVEQMKAQVWLRALETSVAADFYHRLGPHHFLLLYQKKGQWYEIYDKYQVVQTLDCLRYWKATHRSPGQIHLVQRHPPSEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTPRMAEVASRDPKLYAMHPWVTSKPLPEYLWKKIANNCIFIVIHRSTTSQTIKVSPDDTPGAILQSFFTKMAKKKSLMDIPESQSEQDFVLRVCGRDEYLVGETPIKNFQWVRHCLKNGEEIHVVLDTPPDPALDEVRKEEWPLVDDCTGVTGYHEQLTIHGKDHESVFTVSLWDCDRKFRVKIRGIDIPVLPRNTDLTVFVEANIQHGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCGKAPALSSKASAESPSSESKGKVQLLYYVNLLLIDHRFLLRRGEYVLHMWQISGKGEDQGSFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHQPTPDPEGDRVRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKHPKAYPKLFSSVKWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFSDENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLRNKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQVIEMLQKVTLDIKSLSAEKYDVSSQVISQLKQKLENLQNSQLPESFRVPYDPGLKAGALAIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDMLILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQSTVGNTGAFKDEVLNHWLKEKSPTEEKFQAAVERFVYSCAGYCVATFVLGIGDRHNDNIMITETGNLFHIDFGHILGNYKSFLGINKERVPFVLTPDFLFVMGTSGKKTSPHFQKFQDICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIRDALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLGIKQGEKHSA
  
Inhibitor
Name:
BDBM657155
Synonyms:
3-Amino-N-((1s,3R)-3-hydroxy-3- (trifluoromethyl)cyclobutyl)-6-(2-(methyl- d3)-5-((S)-1,1,1-trifluoro-2,3- dihydroxypropan-2-yl)phenyl)pyrazine-2- carboxamide, trifluoroacetate salt (single enantiomer) | 3-Amino-N-((1s,3R)-3-hydroxy-3-(trifluoromethyl)cyclobutyl)-6-(2-(methyl-d3)-5-((S)-1,1,1-trifluoro-2,3-dihydroxypropan-2-yl)phenyl)pyrazine-2-carboxamide | US11926616, Example 29
Type:
Small organic molecule
Emp. Form.:
C20H20F6N4O4
Mol. Mass.:
494.3876
SMILES:
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)NC1CC(O)(C1)C(F)(F)F)[C@](O)(CO)C(F)(F)F |wU:26.29,wD:26.28,(1.72,-13.95,;1.72,-15.49,;3.06,-16.26,;3.06,-17.8,;1.72,-18.57,;.39,-17.8,;.39,-16.26,;-.94,-15.49,;-2.28,-16.26,;-3.61,-15.49,;-3.61,-13.95,;-4.94,-13.18,;-2.28,-13.18,;-.94,-13.95,;-2.28,-11.64,;-.94,-10.87,;-3.61,-10.87,;-3.61,-9.33,;-4.7,-8.24,;-3.61,-7.16,;-2.81,-5.84,;-2.52,-8.24,;-4.42,-5.84,;-5.22,-4.53,;-3.1,-5.04,;-5.73,-6.65,;1.72,-20.11,;.18,-20.11,;3.26,-20.11,;4.03,-21.45,;1.72,-21.65,;1.72,-23.19,;3.26,-21.65,;.18,-21.65,)|
Structure:
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