Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM336491
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
55±n/a nM
Citation
 Wang, X; Liu, J; Yang, C; Zhang, W; Frye, S; Kireev, D Pyrazolopyrimidine compounds for the treatment of cancer US Patent  US9744172 Publication Date 8/29/2017 
Target
Name:
Tyrosine-protein kinase Mer
Synonyms:
MER | MER intracellular domain/EGFR extracellular domain chimera | MERTK | MERTK_HUMAN | Proto-oncogene c-Mer | Proto-oncogene tyrosine-protein kinase MER | Receptor tyrosine kinase MerTK | Tyrosine-protein kinase Mer
Type:
PROTEIN
Mol. Mass.:
110234.77
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1498723
Residue:
999
Sequence:
MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPLLSLPHASGYQPALMFSPTQPGRPHTGNVAIPQVTSVESKPLPPLAFKHTVGHIILSEHKGVKFNCSISVPNIYQDTTISWWKDGKELLGAHHAITQFYPDDEVTAIIASFSITSVQRSDNGSYICKMKINNEEIVSDPIYIEVQGLPHFTKQPESMNVTRNTAFNLTCQAVGPPEPVNIFWVQNSSRVNEQPEKSPSVLTVPGLTEMAVFSCEAHNDKGLTVSKGVQINIKAIPSPPTEVSIRNSTAHSILISWVPGFDGYSPFRNCSIQVKEADPLSNGSVMIFNTSALPHLYQIKQLQALANYSIGVSCMNEIGWSAVSPWILASTTEGAPSVAPLNVTVFLNESSDNVDIRWMKPPTKQQDGELVGYRISHVWQSAGISKELLEEVGQNGSRARISVQVHNATCTVRIAAVTRGGVGPFSDPVKIFIPAHGWVDYAPSSTPAPGNADPVLIIFGCFCGFILIGLILYISLAIRKRVQETKFGNAFTEEDSELVVNYIAKKSFCRRAIELTLHSLGVSEELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDVRNQADVIYVNTQLLESSEGLAQGSTLAPLDLNIDPDSIIASCTPRAAISVVTAEVHDSKPHEGRYILNGGSEEWEDLTSAPSAAVTAEKNSVLPGERLVRNGVSWSHSSMLPLGSSLPDELLFADDSSEGSEVLM
  
Inhibitor
Name:
BDBM336491
Synonyms:
US9744172, Compound UNC1319A
Type:
Small organic molecule
Emp. Form.:
C36H40FN7O4S
Mol. Mass.:
685.811
SMILES:
CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N(C)c1ccc(cc1)C(=O)NCc1ccc(F)cc1 |r,wD:15.15,(-11.66,-6.8,;-10.32,-6.03,;-8.99,-6.8,;-7.66,-6.03,;-6.32,-6.8,;-4.99,-6.03,;-4.99,-4.49,;-3.65,-3.72,;-2.32,-4.49,;-.86,-4.01,;.05,-5.26,;-.86,-6.51,;-.46,-7.99,;1.03,-8.39,;1.43,-9.88,;.34,-10.97,;.74,-12.46,;-1.15,-10.57,;-1.55,-9.08,;-2.32,-6.03,;-3.65,-6.8,;-.46,-2.53,;1.03,-2.13,;1.43,-.64,;.34,.45,;-1.15,.05,;-1.55,-1.44,;.74,1.94,;-.8,1.94,;-.03,3.27,;2.23,2.33,;3.31,1.25,;2.62,3.82,;4.11,4.22,;4.51,5.71,;3.42,6.8,;1.93,6.4,;1.54,4.91,;3.82,8.28,;2.73,9.37,;5.31,8.68,;5.71,10.17,;7.19,10.57,;8.28,9.48,;9.77,9.88,;10.17,11.37,;11.66,11.77,;9.08,12.46,;7.59,12.06,)|
Structure:
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