Target
Mitogen-activated protein kinase kinase kinase 14
Ligand
BDBM158654
Substrate
n/a
Meas. Tech.
ChEMBL_1701709 (CHEMBL4052942)
Ki
0.400000±n/a nM
Citation
 Castanedo, GMBlaquiere, NBeresini, MBravo, BBrightbill, HChen, JCui, HFEigenbrot, CEverett, CFeng, JGodemann, RGogol, EHymowitz, SJohnson, AKayagaki, NKohli, PBKnüppel, KKraemer, JKrüger, SLoke, PMcEwan, PMontalbetti, CRoberts, DASmith, MSteinbacher, SSujatha-Bhaskar, STakahashi, RWang, XWu, LCZhang, YStaben, ST Structure-Based Design of Tricyclic NF-?B Inducing Kinase (NIK) Inhibitors That Have High Selectivity over Phosphoinositide-3-kinase (PI3K). J Med Chem 60:627-640 (2017) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 14
Synonyms:
HsNIK | M3K14_HUMAN | MAP3K14 | NF-kappa-beta-inducing kinase | NF-kappa-beta-inducing kinase (NF-kB) | NIK | Serine/threonine-protein kinase NIK
Type:
Protein
Mol. Mass.:
104059.50
Organism:
Homo sapiens (Human)
Description:
Q99558
Residue:
947
Sequence:
MAVMEMACPGAPGSAVGQQKELPKAKEKTPPLGKKQSSVYKLEAVEKSPVFCGKWEILNDVITKGTAKEGSEAGPAAISIIAQAECENSQEFSPTFSERIFIAGSKQYSQSESLDQIPNNVAHATEGKMARVCWKGKRRSKARKKRKKKSSKSLAHAGVALAKPLPRTPEQESCTIPVQEDESPLGAPYVRNTPQFTKPLKEPGLGQLCFKQLGEGLRPALPRSELHKLISPLQCLNHVWKLHHPQDGGPLPLPTHPFPYSRLPHPFPFHPLQPWKPHPLESFLGKLACVDSQKPLPDPHLSKLACVDSPKPLPGPHLEPSCLSRGAHEKFSVEEYLVHALQGSVSSGQAHSLTSLAKTWAARGSRSREPSPKTEDNEGVLLTEKLKPVDYEYREEVHWATHQLRLGRGSFGEVHRMEDKQTGFQCAVKKVRLEVFRAEELMACAGLTSPRIVPLYGAVREGPWVNIFMELLEGGSLGQLVKEQGCLPEDRALYYLGQALEGLEYLHSRRILHGDVKADNVLLSSDGSHAALCDFGHAVCLQPDGLGKSLLTGDYIPGTETHMAPEVVLGRSCDAKVDVWSSCCMMLHMLNGCHPWTQFFRGPLCLKIASEPPPVREIPPSCAPLTAQAIQEGLRKEPIHRVSAAELGGKVNRALQQVGGLKSPWRGEYKEPRHPPPNQANYHQTLHAQPRELSPRAPGPRPAEETTGRAPKLQPPLPPEPPEPNKSPPLTLSKEESGMWEPLPLSSLEPAPARNPSSPERKATVPEQELQQLEIELFLNSLSQPFSLEEQEQILSCLSIDSLSLSDDSEKNPSKASQSSRDTLSSGVHSWSSQAEARSSSWNMVLARGRPTDTPSYFNGVKVQIQSLNGEHLHIREFHRVKVGDIATGISSQIPAAAFSLVTKDGQPVRYDMEVPDSGIDLQCTLAPDGSFAWSWRVKHGQLENRP
  
Inhibitor
Name:
BDBM158654
Synonyms:
US9034866, 129
Type:
Small organic molecule
Emp. Form.:
C22H19FN4O3
Mol. Mass.:
406.4097
SMILES:
Cc1cc(no1)[C@](C)(O)C#Cc1cc2-c3nc(cn3C3CC(C3)c2cc1F)C(N)=O |r,wU:6.7,wD:6.8,(3.31,5.03,;4.08,3.69,;3.61,2.23,;4.85,1.32,;6.1,2.23,;5.62,3.69,;4.85,-.22,;6.19,.55,;6.19,-.99,;3.52,-.99,;2.18,-1.76,;.85,-2.53,;-.48,-1.76,;-1.82,-2.53,;-3.02,-1.57,;-2.88,-.03,;-4.3,.57,;-5.31,-.59,;-4.52,-1.91,;-5.19,-3.3,;-4.52,-4.68,;-3.02,-5.03,;-3.58,-3.53,;-1.82,-4.07,;-.48,-4.84,;.85,-4.07,;2.18,-4.84,;-4.7,2.06,;-6.19,2.46,;-3.61,3.15,)|
Structure:
Search PDB for entries with ligand similarity: