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4AJW

Discovery and Optimization of New Benzimidazole- and Benzoxazole-Pyrimidone Selective PI3KBeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0001782biological_processB cell homeostasis
A0001938biological_processpositive regulation of endothelial cell proliferation
A0002250biological_processadaptive immune response
A0002376biological_processimmune system process
A0005515molecular_functionprotein binding
A0005524molecular_functionATP binding
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005886cellular_componentplasma membrane
A0005942cellular_componentphosphatidylinositol 3-kinase complex
A0005943cellular_componentphosphatidylinositol 3-kinase complex, class IA
A0006629biological_processlipid metabolic process
A0006935biological_processchemotaxis
A0006952biological_processdefense response
A0006954biological_processinflammatory response
A0007166biological_processcell surface receptor signaling pathway
A0010595biological_processpositive regulation of endothelial cell migration
A0010628biological_processpositive regulation of gene expression
A0010629biological_processnegative regulation of gene expression
A0016301molecular_functionkinase activity
A0016303molecular_function1-phosphatidylinositol-3-kinase activity
A0016477biological_processcell migration
A0016740molecular_functiontransferase activity
A0022603biological_processregulation of anatomical structure morphogenesis
A0030154biological_processcell differentiation
A0030335biological_processpositive regulation of cell migration
A0033031biological_processpositive regulation of neutrophil apoptotic process
A0035005molecular_function1-phosphatidylinositol-4-phosphate 3-kinase activity
A0036092biological_processphosphatidylinositol-3-phosphate biosynthetic process
A0038084biological_processvascular endothelial growth factor signaling pathway
A0042113biological_processB cell activation
A0043491biological_processphosphatidylinositol 3-kinase/protein kinase B signal transduction
A0045087biological_processinnate immune response
A0045766biological_processpositive regulation of angiogenesis
A0046854biological_processphosphatidylinositol phosphate biosynthetic process
A0046934molecular_function1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
A0048015biological_processphosphatidylinositol-mediated signaling
A0048872biological_processhomeostasis of number of cells
A0050832biological_processdefense response to fungus
A0051094biological_processpositive regulation of developmental process
A0051240biological_processpositive regulation of multicellular organismal process
A0051707biological_processresponse to other organism
A1905278biological_processpositive regulation of epithelial tube formation
A2000026biological_processregulation of multicellular organismal development
B0000166molecular_functionnucleotide binding
B0001782biological_processB cell homeostasis
B0001938biological_processpositive regulation of endothelial cell proliferation
B0002250biological_processadaptive immune response
B0002376biological_processimmune system process
B0005515molecular_functionprotein binding
B0005524molecular_functionATP binding
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0005886cellular_componentplasma membrane
B0005942cellular_componentphosphatidylinositol 3-kinase complex
B0005943cellular_componentphosphatidylinositol 3-kinase complex, class IA
B0006629biological_processlipid metabolic process
B0006935biological_processchemotaxis
B0006952biological_processdefense response
B0006954biological_processinflammatory response
B0007166biological_processcell surface receptor signaling pathway
B0010595biological_processpositive regulation of endothelial cell migration
B0010628biological_processpositive regulation of gene expression
B0010629biological_processnegative regulation of gene expression
B0016301molecular_functionkinase activity
B0016303molecular_function1-phosphatidylinositol-3-kinase activity
B0016477biological_processcell migration
B0016740molecular_functiontransferase activity
B0022603biological_processregulation of anatomical structure morphogenesis
B0030154biological_processcell differentiation
B0030335biological_processpositive regulation of cell migration
B0033031biological_processpositive regulation of neutrophil apoptotic process
B0035005molecular_function1-phosphatidylinositol-4-phosphate 3-kinase activity
B0036092biological_processphosphatidylinositol-3-phosphate biosynthetic process
B0038084biological_processvascular endothelial growth factor signaling pathway
B0042113biological_processB cell activation
B0043491biological_processphosphatidylinositol 3-kinase/protein kinase B signal transduction
B0045087biological_processinnate immune response
B0045766biological_processpositive regulation of angiogenesis
B0046854biological_processphosphatidylinositol phosphate biosynthetic process
B0046934molecular_function1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity
B0048015biological_processphosphatidylinositol-mediated signaling
B0048872biological_processhomeostasis of number of cells
B0050832biological_processdefense response to fungus
B0051094biological_processpositive regulation of developmental process
B0051240biological_processpositive regulation of multicellular organismal process
B0051707biological_processresponse to other organism
B1905278biological_processpositive regulation of epithelial tube formation
B2000026biological_processregulation of multicellular organismal development
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE VWN A 2027
ChainResidue
APHE751
AASP911
AMET752
APRO758
ATRP760
AILE777
ALYS779
AGLU826
AVAL828
AMET900

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE VWN B 2027
ChainResidue
BMET752
BPRO758
BTRP760
BILE777
BLYS779
BGLU826
BVAL828
BMET900
BASP911

Functional Information from PROSITE/UniProt
site_idPS00915
Number of Residues15
DetailsPI3_4_KINASE_1 Phosphatidylinositol 3- and 4-kinases signature 1. FKng.DDLRQDmltlQ
ChainResidueDetails
APHE778-GLN792

site_idPS00916
Number of Residues21
DetailsPI3_4_KINASE_2 Phosphatidylinositol 3- and 4-kinases signature 2. ScAgycVatYVLgIgDRHsdN
ChainResidueDetails
ASER878-ASN898

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsRegion: {"description":"G-loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues16
DetailsRegion: {"description":"Catalytic loop","evidences":[{"source":"PROSITE-ProRule","id":"PRU00269","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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