Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetTyrosine-protein kinase Mer
LigandBDBM50469367
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1804040 (CHEMBL4276332)
IC50 4.1±n/a nM
Citation Zhao, JZhang, DZhang, WStashko, MADeRyckere, DVasileiadi, EParker, REHunter, DLiu, QZhang, YNorris-Drouin, JLi, BDrewry, DHKireev, DGraham, DKEarp, HSFrye, SVWang, X Highly Selective MERTK Inhibitors Achieved by a Single Methyl Group. J Med Chem61:10242-10254 (2018) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Tyrosine-protein kinase Mer
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:
MGPAPLPLLLGLFLPALWRRAITEAREEAKPYPLFPGPFPGSLQTDHTPLLSLPHASGYQ
PALMFSPTQPGRPHTGNVAIPQVTSVESKPLPPLAFKHTVGHIILSEHKGVKFNCSISVP
NIYQDTTISWWKDGKELLGAHHAITQFYPDDEVTAIIASFSITSVQRSDNGSYICKMKIN
NEEIVSDPIYIEVQGLPHFTKQPESMNVTRNTAFNLTCQAVGPPEPVNIFWVQNSSRVNE
QPEKSPSVLTVPGLTEMAVFSCEAHNDKGLTVSKGVQINIKAIPSPPTEVSIRNSTAHSI
LISWVPGFDGYSPFRNCSIQVKEADPLSNGSVMIFNTSALPHLYQIKQLQALANYSIGVS
CMNEIGWSAVSPWILASTTEGAPSVAPLNVTVFLNESSDNVDIRWMKPPTKQQDGELVGY
RISHVWQSAGISKELLEEVGQNGSRARISVQVHNATCTVRIAAVTRGGVGPFSDPVKIFI
PAHGWVDYAPSSTPAPGNADPVLIIFGCFCGFILIGLILYISLAIRKRVQETKFGNAFTE
EDSELVVNYIAKKSFCRRAIELTLHSLGVSEELQNKLEDVVIDRNLLILGKILGEGEFGS
VMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMS
SQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFL
HRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSK
SDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTD
PLDRPTFSVLRLQLEKLLESLPDVRNQADVIYVNTQLLESSEGLAQGSTLAPLDLNIDPD
SIIASCTPRAAISVVTAEVHDSKPHEGRYILNGGSEEWEDLTSAPSAAVTAEKNSVLPGE
RLVRNGVSWSHSSMLPLGSSLPDELLFADDSSEGSEVLM
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50469367
n/a
NameBDBM50469367
Synonyms:CHEMBL4294601
TypeSmall organic molecule
Emp. Form.C30H44N6O
Mol. Mass.504.71
SMILESCCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CC[C@@H](C2)N(C)C)cc1 |r,wU:13.12,30.35,wD:16.16,3.3,(-.72,-25.42,;.63,-24.65,;1.96,-25.42,;3.29,-24.65,;3.29,-23.11,;4.63,-25.42,;5.96,-24.65,;5.96,-23.11,;7.29,-22.34,;8.63,-23.1,;10.1,-22.62,;11.01,-23.88,;10.1,-25.13,;10.85,-26.47,;12.39,-26.5,;13.13,-27.85,;12.33,-29.17,;13.07,-30.52,;10.79,-29.14,;10.05,-27.79,;8.63,-24.65,;7.3,-25.42,;10.82,-21.26,;12.36,-21.2,;13.07,-19.84,;12.24,-18.53,;12.95,-17.17,;14.49,-17.1,;15.45,-18.3,;16.9,-17.76,;16.83,-16.22,;15.35,-15.81,;18.04,-15.26,;19.47,-15.83,;17.81,-13.74,;10.7,-18.6,;9.99,-19.97,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: