Reaction Details Report a problem with these data
Target
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]
Ligand
BDBM434989
Substrate
n/a
Meas. Tech.
RET V804L Gatekeeper Mutant Assay at KM
IC50
<500±n/a nM
Citation
 Brubaker, JD; Kim, JL; Wilson, KJ; Wilson, D; DiPietro, LV Inhibitors of RET US Patent  US10584114 Publication Date 3/10/2020 
Target
Name:
Proto-oncogene tyrosine-protein kinase receptor Ret [V804L]
Synonyms:
CDHF12 | CDHR16 | PTC | RET | RET kinase (V804L) | RET kinase mutant (V804L) | RET51 | RET_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
124332.32
Organism:
Homo sapiens (Human)
Description:
P07949[V804L]
Residue:
1114
Sequence:
MAKATSGAAGLRLLLLLLLPLLGKVALGLYFSRDAYWEKLYVDQAAGTPLLYVHALRDAPEEVPSFRLGQHLYGTYRTRLHENNWICIQEDTGLLYLNRSLDHSSWEKLSVRNRGFPLLTVYLKVFLSPTSLREGECQWPGCARVYFSFFNTSFPACSSLKPRELCFPETRPSFRIRENRPPGTFHQFRLLPVQFLCPNISVAYRLLEGEGLPFRCAPDSLEVSTRWALDREQREKYELVAVCTVHAGAREEVVMVPFPVTVYDEDDSAPTFPAGVDTASAVVEFKRKEDTVVATLRVFDADVVPASGELVRRYTSTLLPGDTWAQQTFRVEHWPNETSVQANGSFVRATVHDYRLVLNRNLSISENRTMQLAVLVNDSDFQGPGAGVLLLHFNVSVLPVSLHLPSTYSLSVSRRARRFAQIGKVCVENCQAFSGINVQYKLHSSGANCSTLGVVTSAEDTSGILFVNDTKALRRPKCAELHYMVVATDQQTSRQAQAQLLVTVEGSYVAEEAGCPLSCAVSKRRLECEECGGLGSPTGRCEWRQGDGKGITRNFSTCSPSTKTCPDGHCDVVETQDINICPQDCLRGSIVGGHEPGEPRGIKAGYGTCNCFPEEEKCFCEPEDIQDPLCDELCRTVIAAAVLFSFIVSVLLSAFCIHCYHKFAHKPPISSAEMTFRRPAQAFPVSYSSSGARRPSLDSMENQVSVDAFKILEDPKWEFPRKNLVLGKTLGEGEFGKVVKATAFHLKGRAGYTTVAVKMLKENASPSELRDLLSEFNVLKQVNHPHVIKLYGACSQDGPLLLILEYAKYGSLRGFLRESRKVGPGYLGSGGSRNSSSLDHPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDSYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRRDYLDLAASTPSDSLIYDDGLSEEETPLVDCNNAPLPRALPSTWIENKLYGMSDPNWPGESPVPLTRADGTNTGFPRYPNDSVYANWMLSPSAAKLMDTFDS
  
Inhibitor
Name:
BDBM434989
Synonyms:
US10584114, Compound 101 | US11279688, Compound 101
Type:
Small organic molecule
Emp. Form.:
C25H29N9O
Mol. Mass.:
471.5575
SMILES:
Cc1cc(Nc2cc(C)nc(n2)[C@H]2CC[C@@H](CC2)C(=O)NCc2ccc(nc2)-n2cccn2)n[nH]1 |r,wU:12.12,wD:15.19,(-12.54,-.74,;-11.01,-.9,;-9.98,.24,;-8.57,-.39,;-7.24,.38,;-5.9,-.39,;-5.9,-1.93,;-4.57,-2.7,;-4.57,-4.24,;-3.24,-1.93,;-3.24,-.39,;-4.57,.38,;-1.9,.38,;-1.9,1.93,;-.57,2.69,;.77,1.93,;.77,.38,;-.57,-.38,;2.1,2.7,;2.1,4.24,;3.43,1.93,;4.77,2.7,;6.1,1.93,;7.43,2.7,;8.77,1.93,;8.77,.39,;7.43,-.38,;6.1,.39,;10.1,-.38,;11.51,.24,;12.54,-.9,;11.77,-2.24,;10.26,-1.92,;-8.73,-1.92,;-10.24,-2.24,)|
Structure:
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