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Target
Mitogen-activated protein kinase kinase kinase 14
Ligand
BDBM158662
Substrate
n/a
Meas. Tech.
ChEMBL_1808276 (CHEMBL4307635)
Ki
14±n/a nM
Citation
 Feng, JA; Lee, P; Alaoui, MH; Barrett, K; Castanedo, G; Godemann, R; McEwan, P; Wang, X; Wu, P; Zhang, Y; Harris, SF; Staben, ST Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). ACS Med Chem Lett 10:1260-1265 (2019) [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:
BDBM158662
Synonyms:
US9034866, 137
Type:
Small organic molecule
Emp. Form.:
C24H22FN5O4
Mol. Mass.:
463.461
SMILES:
CNC(=O)c1c(nc2-c3cc(C#C[C@@](C)(O)c4cc(C)on4)c(F)cc3C3CC(C3)n12)C(N)=O |r,wU:13.14,wD:13.13,(-9.69,.06,;-8.21,-.34,;-7.12,.75,;-7.52,2.24,;-5.63,.35,;-4.62,1.51,;-3.2,.91,;-3.34,-.63,;-2.13,-1.59,;-.8,-.82,;.53,-1.59,;1.87,-.82,;3.2,-.05,;4.53,.72,;5.3,2.06,;3.76,2.06,;5.87,-.05,;7.11,.86,;8.36,-.05,;9.69,.72,;7.88,-1.51,;6.34,-1.51,;.53,-3.13,;1.87,-3.9,;-.8,-3.9,;-2.13,-3.13,;-3.34,-4.09,;-4.84,-3.75,;-5.51,-2.36,;-3.9,-2.59,;-4.84,-.97,;-5.01,3,;-6.5,3.4,;-3.93,4.09,)|
Structure:
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