Reaction Details  Report a problem with these data
Target
Tyrosine-protein kinase Mer
Ligand
BDBM50469375
Substrate
n/a
Meas. Tech.
ChEMBL_1804040 (CHEMBL4276332)
IC50
3.5±n/a nM
Citation
 Zhao, J; Zhang, D; Zhang, W; Stashko, MA; DeRyckere, D; Vasileiadi, E; Parker, RE; Hunter, D; Liu, Q; Zhang, Y; Norris-Drouin, J; Li, B; Drewry, DH; Kireev, D; Graham, DK; Earp, HS; Frye, SV; Wang, X Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group. J Med Chem 61:10242-10254 (2018) [PubMed]  Article
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:
BDBM50469375
Synonyms:
CHEMBL4283152
Type:
Small organic molecule
Emp. Form.:
C27H38N6O
Mol. Mass.:
462.6302
SMILES:
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)N1CCN(C)CC1 |r,wU:12.11,wD:15.15,(20.68,-20.42,;20.68,-21.96,;22.01,-22.74,;23.34,-21.97,;24.67,-22.74,;26,-21.97,;26,-20.42,;27.33,-19.65,;28.67,-20.42,;30.14,-19.94,;31.05,-21.19,;30.14,-22.45,;30.89,-23.79,;32.43,-23.81,;33.17,-25.17,;32.37,-26.48,;33.11,-27.83,;30.83,-26.45,;30.09,-25.11,;28.67,-21.97,;27.34,-22.74,;30.85,-18.57,;32.39,-18.52,;33.11,-17.15,;32.28,-15.85,;30.74,-15.92,;30.03,-17.28,;32.99,-14.48,;34.53,-14.42,;35.23,-13.06,;34.41,-11.76,;35.12,-10.39,;32.87,-11.83,;32.16,-13.19,)|
Structure:
Search PDB for entries with ligand similarity: