Reaction Details
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligand
BDBM506864
Substrate
n/a
Meas. Tech.
PI3Kdelta Scintillation Proximity Assay
IC50
<100±n/a nM
Citation
Douty, B; Ai, Y; Burns, DM; Combs, AP; Falahatpisheh, N; Levy, D; Polam, P; Shao, L; Shepard, S; Shvartsbart, A; Yue, EW; Buesking, AW Aminopyrazine derivatives as PI3K-γ inhibitors US Patent US11046658 Publication Date 6/29/2021 More Info.:
Target
Name:
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Synonyms:
PI3-kinase p110 subunit delta | PI3-kinase p110-delta subunit | PI3-kinase subunit p110-delta | PI3K | PIK3CD | PK3CD_HUMAN | Phosphatidylinositol 4,5-biphosphate 3-kinase catalytic subunit delta (PIK3CD) | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta | Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta (PI3K delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta (PI3Kdelta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform ( PI3K-delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3K-delta) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3Kd) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (PI3Kdelta)
Type:
Enzyme Subunit
Mol. Mass.:
119489.41
Organism:
Homo sapiens (Human)
Description:
O00329
Residue:
1044
Sequence:
MPPGVDCPMEFWTKEENQSVVVDFLLPTGVYLNFPVSRNANLSTIKQLLWHRAQYEPLFHMLSGPEAYVFTCINQTAEQQELEDEQRRLCDVQPFLPVLRLVAREGDRVKKLINSQISLLIGKGLHEFDSLCDPEVNDFRAKMCQFCEEAAARRQQLGWEAWLQYSFPLQLEPSAQTWGPGTLRLPNRALLVNVKFEGSEESFTFQVSTKDVPLALMACALRKKATVFRQPLVEQPEDYTLQVNGRHEYLYGSYPLCQFQYICSCLHSGLTPHLTMVHSSSILAMRDEQSNPAPQVQKPRAKPPPIPAKKPSSVSLWSLEQPFRIELIQGSKVNADERMKLVVQAGLFHGNEMLCKTVSSSEVSVCSEPVWKQRLEFDINICDLPRMARLCFALYAVIEKAKKARSTKKKSKKADCPIAWANLMLFDYKDQLKTGERCLYMWPSVPDEKGELLNPTGTVRSNPNTDSAAALLICLPEVAPHPVYYPALEKILELGRHSECVHVTEEEQLQLREILERRGSGELYEHEKDLVWKLRHEVQEHFPEALARLLLVTKWNKHEDVAQMLYLLCSWPELPVLSALELLDFSFPDCHVGSFAIKSLRKLTDDELFQYLLQLVQVLKYESYLDCELTKFLLDRALANRKIGHFLFWHLRSEMHVPSVALRFGLILEAYCRGSTHHMKVLMKQGEALSKLKALNDFVKLSSQKTPKPQTKELMHLCMRQEAYLEALSHLQSPLDPSTLLAEVCVEQCTFMDSKMKPLWIMYSNEEAGSGGSVGIIFKNGDDLRQDMLTLQMIQLMDVLWKQEGLDLRMTPYGCLPTGDRTGLIEVVLRSDTIANIQLNKSNMAATAAFNKDALLNWLKSKNPGEALDRAIEEFTLSCAGYCVATYVLGIGDRHSDNIMIRESGQLFHIDFGHFLGNFKTKFGINRERVPFILTYDFVHVIQQGKTNNSEKFERFRGYCERAYTILRRHGLLFLHLFALMRAAGLPELSCSKDIQYLKDSLALGKTEEEALKHFRVKFNEALRESWKTKVNWLAHNVSKDNRQ
Inhibitor
Name:
BDBM506864
Synonyms:
3-amino-6-(5-(3-amino- 1,1,1-trifluoro-2-hydroxy- 3-oxopropan-2-yl)-2- methylphenyl)-N-((1r,4r)- 4-(2-hydroxypropan-2- yl)cyclohexyl)pyrazine-2- carboxamide trifluoroacetate | US11046658, Example 19
Type:
Small organic molecule
Emp. Form.:
C25H32F3N5O3
Mol. Mass.:
507.5485
SMILES:
Cc1ccc(cc1-c1cnc(N)c(n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)C)C(O)(C(N)=O)C(F)(F)F |r,wU:17.18,wD:20.25,(6.58,6.83,;6.58,5.29,;7.91,4.52,;7.91,2.98,;6.58,2.21,;5.25,2.98,;5.25,4.52,;3.91,5.29,;3.91,6.83,;2.58,7.6,;1.24,6.83,;-.09,7.6,;1.24,5.29,;2.58,4.52,;-.09,4.52,;-.09,2.98,;-1.42,5.29,;-2.76,4.52,;-2.76,2.98,;-4.09,2.21,;-5.42,2.98,;-5.42,4.52,;-4.09,5.29,;-6.76,2.21,;-8.09,2.98,;-6.76,.67,;-5.42,1.44,;6.58,.67,;8.12,.67,;6.58,-.87,;5.25,-1.64,;7.91,-1.64,;5.04,.67,;3.5,.67,;5.04,-.87,;5.04,2.21,)|
Structure:
