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Target
Phosphatidylinositol 4-kinase beta
Ligand
BDBM513427
Substrate
n/a
Meas. Tech.
Kinase Activity Assay
IC50
<1000±n/a nM
Citation
 Glenn, JS; Gelman, MA; Tavshanjian, B; Shokat, K; Choong, I; Smith, M PI-kinase inhibitors with anti-infective activity US Patent  US11091472 Publication Date 8/17/2021 
Target
Name:
Phosphatidylinositol 4-kinase beta
Synonyms:
NPIK | PI4-kinase beta subunit | PI4K-beta | PI4K92 | PI4KB | PI4KB_HUMAN | PI4Kbeta | PIK4B | PIK4CB | Phosphatidylinositol 4-kinase beta | Phosphatidylinositol 4-kinase, PI4K | PtdIns 4-kinase beta
Type:
Protein
Mol. Mass.:
91373.30
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
816
Sequence:
MGDTVVEPAPLKPTSEPTSGPPGNNGGSLLSVITEGVGELSVIDPEVAQKACQEVLEKVKLLHGGVAVSSRGTPLELVNGDGVDSEIRCLDDPPAQIREEEDEMGAAVASGTAKGARRRRQNNSAKQSWLLRLFESKLFDISMAISYLYNSKEPGVQAYIGNRLFCFRNEDVDFYLPQLLNMYIHMDEDVGDAIKPYIVHRCRQSINFSLQCALLLGAYSSDMHISTQRHSRGTKLRKLILSDELKPAHRKRELPSLSPAPDTGLSPSKRTHQRSKSDATASISLSSNLKRTASNPKVENEDEELSSSTESIDNSFSSPVRLAPEREFIKSLMAIGKRLATLPTKEQKTQRLISELSLLNHKLPARVWLPTAGFDHHVVRVPHTQAVVLNSKDKAPYLIYVEVLECENFDTTSVPARIPENRIRSTRSVENLPECGITHEQRAGSFSTVPNYDNDDEAWSVDDIGELQVELPEVHTNSCDNISQFSVDSITSQESKEPVFIAAGDIRRRLSEQLAHTPTAFKRDPEDPSAVALKEPWQEKVRRIREGSPYGHLPNWRLLSVIVKCGDDLRQELLAFQVLKQLQSIWEQERVPLWIKPYKILVISADSGMIEPVVNAVSIHQVKKQSQLSLLDYFLQEHGSYTTEAFLSAQRNFVQSCAGYCLVCYLLQVKDRHNGNILLDAEGHIIHIDFGFILSSSPRNLGFETSAFKLTTEFVDVMGGLDGDMFNYYKMLMLQGLIAARKHMDKVVQIVEIMQQGSQLPCFHGSSTIRNLKERFHMSMTEEQLQLLVEQMVDGSMRSITTKLYDGFQYLTNGIM
  
Inhibitor
Name:
BDBM513427
Synonyms:
US11091472, Compound S-221
Type:
Small organic molecule
Emp. Form.:
C21H31N3O4S2
Mol. Mass.:
453.619
SMILES:
COc1ccc(cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1)-c1sc(NCC(C)C)nc1C |r,wU:12.12,wD:15.16,(-7.72,-.01,;-6.54,-1,;-5.2,-.23,;-5.2,1.31,;-3.87,2.08,;-2.54,1.31,;-2.54,-.23,;-3.87,-1,;-3.87,-2.54,;-5.41,-2.54,;-4.27,-4.03,;-2.54,-3.31,;-1,-3.31,;-.23,-1.98,;1.31,-1.98,;2.08,-3.31,;3.62,-3.31,;1.31,-4.64,;-.23,-4.64,;-1.2,2.08,;.2,1.45,;1.23,2.6,;2.77,2.44,;3.85,3.53,;5.34,3.13,;6.11,1.79,;6.54,4.1,;.46,3.93,;-1.04,3.61,;-2.19,4.64,)|
Structure:
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