Reaction Details
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Ligand
BDBM334029
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
1.30±n/a nM
Citation
Achab, AA; Altman, MD; Deng, Y; Guzi, T; Kattar, S; Katz, JD; Methot, JL; Zhou, H; McGowan, M; Christopher, MP; Garcia, Y; Anthony, NJ; Fradera Llinas, FX; Fong, KC; Leng, X; Mu, C; Zhang, S; Zhang, R Purine inhibitors of human phosphatidylinositol 3-kinase delta US Patent US9730940 Publication Date 8/15/2017 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:
BDBM334029
Synonyms:
9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl] pyrrolidin-3-yl}oxy)-8-(2- methylpyrimidin-5-yl)-9H- purine | US9730940, Compound 2-129
Type:
Small organic molecule
Emp. Form.:
C22H27N7O2
Mol. Mass.:
421.4955
SMILES:
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1 |r,wD:8.7,(-1.31,-6.45,;-2.4,-5.36,;-2,-3.88,;-2.91,-2.63,;-2,-1.39,;-.54,-1.86,;.79,-1.09,;.79,.45,;2.13,1.22,;3.59,.74,;4.5,1.99,;3.59,3.23,;2.13,2.76,;3.99,4.72,;2.9,5.81,;5.48,5.12,;6.81,4.35,;7.58,5.68,;9.07,6.08,;6.25,6.45,;2.13,-1.86,;2.13,-3.4,;.79,-4.17,;-.54,-3.4,;-4.45,-2.63,;-5.22,-1.3,;-6.76,-1.3,;-7.53,-2.63,;-9.07,-2.63,;-6.76,-3.97,;-5.22,-3.97,)|
Structure:
