Reaction Details Report a problem with these data
Target
Phosphatidylinositol 3-kinase regulatory subunit alpha
Ligand
BDBM315560
Substrate
n/a
Meas. Tech.
In vitro kinase assay
IC50
>500±n/a nM
Citation
 Liu, Y; Ren, P; Jessen, K; Guo, X; Rommel, C Combination pharmaceutical compositions and uses thereof US Patent  US10172858 Publication Date 1/8/2019 
Target
Name:
Phosphatidylinositol 3-kinase regulatory subunit alpha
Synonyms:
GRB1 | P85A_HUMAN | PI3-kinase class I | PI3-kinase p85 subunit alpha | PI3-kinase p85-alpha subunit | PI3-kinase p85-subunit alpha | PI3-kinase subunit p85-alpha | PI3K | PIK3CG/PIK3R1 | PIK3R1 | Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha (PI3K alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PI3K p85-alpha) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3R1) | Phosphatidylinositol 3-kinase regulatory subunit alpha (PIK3RI) | Phosphatidylinositol 3-kinase regulatory subunit alpha isoform 1 (PI3 Kinase alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha p85alpha) | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PI3Kalpha) | Phosphoinositide 3-Kinase (PI3K) Chain B | PtdIns-3-kinase p85-alpha | p84 alpha | p85 alpha
Type:
Protein
Mol. Mass.:
83592.82
Organism:
Homo sapiens (Human)
Description:
P27986
Residue:
724
Sequence:
MSAEGYQYRALYDYKKEREEDIDLHLGDILTVNKGSLVALGFSDGQEARPEEIGWLNGYNETTGERGDFPGTYVEYIGRKKISPPTPKPRPPRPLPVAPGSSKTEADVEQQALTLPDLAEQFAPPDIAPPLLIKLVEAIEKKGLECSTLYRTQSSSNLAELRQLLDCDTPSVDLEMIDVHVLADAFKRYLLDLPNPVIPAAVYSEMISLAPEVQSSEEYIQLLKKLIRSPSIPHQYWLTLQYLLKHFFKLSQTSSKNLLNARVLSEIFSPMLFRFSAASSDNTENLIKVIEILISTEWNERQPAPALPPKPPKPTTVANNGMNNNMSLQDAEWYWGDISREEVNEKLRDTADGTFLVRDASTKMHGDYTLTLRKGGNNKLIKIFHRDGKYGFSDPLTFSSVVELINHYRNESLAQYNPKLDVKLLYPVSKYQQDQVVKEDNIEAVGKKLHEYNTQFQEKSREYDRLYEEYTRTSQEIQMKRTAIEAFNETIKIFEEQCQTQERYSKEYIEKFKREGNEKEIQRIMHNYDKLKSRISEIIDSRRRLEEDLKKQAAEYREIDKRMNSIKPDLIQLRKTRDQYLMWLTQKGVRQKKLNEWLGNENTEDQYSLVEDDEDLPHHDEKTWNVGSSNRNKAENLLRGKRDGTFLVRESSKQGCYACSVVVDGEVKHCVINKTATGYGFAEPYNLYSSLKELVLHYQHTSLVQHNDSLNVTLAYPVYAQQRR
  
Inhibitor
Name:
BDBM315560
Synonyms:
US10172858, Table 2.57 | US9828378, # 57
Type:
Small organic molecule
Emp. Form.:
C23H27N7O2
Mol. Mass.:
433.5062
SMILES:
Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC(CC1)N1CCOCC1 |w:23.30,(-2.24,3.7,;-2.24,2.16,;-3.57,1.39,;-3.57,-.15,;-2.24,-.92,;-.9,-.15,;.56,-.63,;1.47,.62,;.56,1.86,;.96,3.35,;.06,4.6,;.96,5.84,;.64,7.35,;1.79,8.38,;1.39,9.87,;3.25,7.9,;3.57,6.4,;2.43,5.37,;2.43,3.83,;-.9,1.39,;.56,-2.17,;-.77,-2.94,;-.77,-4.48,;.56,-5.25,;1.9,-4.48,;1.9,-2.94,;.56,-6.79,;-.77,-7.56,;-.77,-9.1,;.56,-9.87,;1.9,-9.1,;1.9,-7.56,)|
Structure:
Search PDB for entries with ligand similarity: