Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSerine/threonine-protein kinase WEE1
LigandBDBM50043648
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1445052
Ki<1.000000±n/a nM
Citation Tong, YTorrent, MFlorjancic, ASBromberg, KDBuchanan, FGFerguson, DCJohnson, EFLasko, LMMaag, DMerta, PJOlson, AMOsterling, DJSoni, NShoemaker, ARPenning, TD Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase. ACS Med Chem Lett6:58-62 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Serine/threonine-protein kinase WEE1
Name:Serine/threonine-protein kinase WEE1
Synonyms:WEE1
Type:PROTEIN
Mol. Mass.:71599.12
Organism:Homo sapiens (Human)
Description:ChEMBL_1445054
Residue:646
Sequence:
MSFLSRQQPPPPRRAGAACTLRQKLIFSPCSDCEEEEEEEEEEGSGHSTGEDSAFQEPDS
PLPPARSPTEPGPERRRSPGPAPGSPGELEEDLLLPGACPGADEAGGGAEGDSWEEEGFG
SSSPVKSPAAPYFLGSSFSPVRCGGPGDASPRGCGARRAGEGRRSPRPDHPGTPPHKTFR
KLRLFDTPHTPKSLLSKARGIDSSSVKLRGSSLFMDTEKSGKREFDVRQTPQVNINPFTP
DSLLLHSSGQCRRRKRTYWNDSCGEDMEASDYELEDETRPAKRITITESNMKSRYTTEFH
ELEKIGSGEFGSVFKCVKRLDGCIYAIKRSKKPLAGSVDEQNALREVYAHAVLGQHSHVV
RYFSAWAEDDHMLIQNEYCNGGSLADAISENYRIMSYFKEAELKDLLLQVGRGLRYIHSM
SLVHMDIKPSNIFISRTSIPNAASEEGDEDDWASNKVMFKIGDLGHVTRISSPQVEEGDS
RFLANEVLQENYTHLPKADIFALALTVVCAAGAEPLPRNGDQWHEIRQGRLPRIPQVLSQ
EFTELLKVMIHPDPERRPSAMALVKHSVLLSASRKSAEQLRIELNAEKFKNSLLQKELKK
AQMAKAAAEERALFTDRMATRSTTQSNRTSRLIGKKMNRSVSLTIY
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50043648
NameBDBM50043648
Synonyms:CHEMBL3355533
TypeSmall organic molecule
Emp. Form.C26H24ClN7O
Mol. Mass.485.968
SMILESCN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1 |(14.17,-58.52,;12.84,-57.74,;12.85,-56.2,;11.52,-55.43,;11.52,-53.9,;10.19,-53.13,;10.19,-51.59,;8.86,-50.82,;8.86,-49.27,;7.53,-48.5,;6.2,-49.27,;6.19,-50.81,;7.52,-51.58,;4.86,-51.57,;4.54,-53.07,;3.02,-53.22,;2.41,-51.82,;3.55,-50.8,;3.54,-49.26,;2.21,-48.49,;.87,-49.26,;-.47,-48.49,;-.47,-46.95,;.87,-46.18,;2.2,-46.94,;3.53,-46.16,;4.87,-48.49,;4.87,-46.95,;8.85,-53.89,;8.85,-55.43,;10.18,-56.2,;10.17,-57.73,;9.08,-58.81,;8.68,-57.32,;11.51,-58.51,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a