Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM336401
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
<10±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:
BDBM336401
Synonyms:
US9744172, Compound UNC913A
Type:
Small organic molecule
Emp. Form.:
C23H33N7O2S
Mol. Mass.:
471.619
SMILES:
CCCCNc1ncc2c(nn(C[C@H]3CC[C@H](N)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC |r,wU:13.12,wD:16.16,(-8.57,-3.92,;-7.24,-3.15,;-5.91,-3.92,;-4.57,-3.15,;-3.24,-3.92,;-1.91,-3.15,;-1.91,-1.61,;-.57,-.84,;.76,-1.61,;2.23,-1.13,;3.13,-2.38,;2.23,-3.62,;2.62,-5.11,;4.11,-5.51,;5.2,-4.42,;6.69,-4.82,;7.09,-6.31,;8.57,-6.7,;6,-7.4,;4.51,-7,;.76,-3.15,;-.57,-3.92,;2.62,.36,;4.11,.75,;4.51,2.24,;3.42,3.33,;1.93,2.93,;1.54,1.45,;3.82,4.82,;2.73,5.91,;5.31,5.22,;4.22,6.31,;3.13,7.4,)|
Structure:
Search PDB for entries with ligand similarity: