Reaction Details Report a problem with these data
Target
Mast/stem cell growth factor receptor Kit [D816V]
Ligand
BDBM472784
Substrate
n/a
Meas. Tech.
Biochemical Enzymatic Activity
IC50
0.65±n/a nM
Citation
 Dineen, TA Compositions and methods for treating KIT- and PDGFRA-mediated diseases US Patent  US10829493 Publication Date 11/10/2020 
Target
Name:
Mast/stem cell growth factor receptor Kit [D816V]
Synonyms:
KIT | KIT_HUMAN | Mast/stem cell growth factor receptor Kit (D816V) | Mast/stem cell growth factor receptor Kit 1 (D816V) | SCFR | Tyrosine-protein kinase Kit (Kit)(D816V)
Type:
Protein
Mol. Mass.:
109854.42
Organism:
Homo sapiens (Human)
Description:
Human Kit D816V mutant
Residue:
976
Sequence:
MRGARGAWDFLCVLLLLLRVQTGSSQPSVSPGEPSPPSIHPGKSDLIVRVGDEIRLLCTDPGFVKWTFEILDETNENKQNEWITEKAEATNTGKYTCTNKHGLSNSIYVFVRDPAKLFLVDRSLYGKEDNDTLVRCPLTDPEVTNYSLKGCQGKPLPKDLRFIPDPKAGIMIKSVKRAYHRLCLHCSVDQEGKSVLSEKFILKVRPAFKAVPVVSVSKASYLLREGEEFTVTCTIKDVSSSVYSTWKRENSQTKLQEKYNSWHHGDFNYERQATLTISSARVNDSGVFMCYANNTFGSANVTTTLEVVDKGFINIFPMINTTVFVNDGENVDLIVEYEAFPKPEHQQWIYMNRTFTDKWEDYPKSENESNIRYVSELHLTRLKGTEGGTYTFLVSNSDVNAAIAFNVYVNTKPEILTYDRLVNGMLQCVAAGFPEPTIDWYFCPGTEQRCSASVLPVDVQTLNSSGPPFGKLVVQSSIDSSAFKHNGTVECKAYNDVGKTSAYFNFAFKGNNKEQIHPHTLFTPLLIGFVIVAGMMCIIVMILTYKYLQKPMYEVQWKVVEEINGNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKSDAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGGPTLVITEYCCYGDLLNFLRRKRDSFICSKQEDHAEAALYKNLLHSKESSCSDSTNEYMDMKPGVSYVVPTKADKRRSVRIGSYIERDVTPAIMEDDELALDLEDLLSFSYQVAKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARVIKNDSNYVVKGNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVDSKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEKQISESTNHIYSNLANCSPNRQKPVVDHSVRINSVGSTASSSQPLLVHDDV
  
Inhibitor
Name:
BDBM472784
Synonyms:
US10829493, Example 10
Type:
Small organic molecule
Emp. Form.:
C29H31FN10O
Mol. Mass.:
554.6212
SMILES:
C[C@](N)(c1ccc(F)cc1)c1cnc(nc1)N1CCN(CC1)c1ncnn2cc(cc12)-c1cnn(c1)C1C[C@H](O)C1 |r,wU:1.0,38.44,wD:1.1,(2.18,-6.48,;3.27,-5.39,;1.78,-4.99,;4.6,-6.16,;4.6,-7.7,;5.93,-8.47,;7.27,-7.7,;8.6,-8.47,;7.27,-6.16,;5.93,-5.39,;3.27,-3.85,;1.93,-3.08,;1.93,-1.54,;3.27,-.77,;4.6,-1.54,;4.6,-3.08,;3.27,.77,;1.93,1.54,;1.93,3.08,;3.27,3.85,;4.6,3.08,;4.6,1.54,;3.27,5.39,;4.6,6.16,;4.6,7.7,;3.27,8.47,;1.93,7.7,;.47,8.18,;-.44,6.93,;.47,5.68,;1.93,6.16,;-1.98,6.93,;-2.88,8.18,;-4.35,7.7,;-4.35,6.16,;-2.88,5.68,;-5.59,5.25,;-7.11,5.5,;-7.36,3.97,;-8.6,3.07,;-5.83,3.73,)|
Structure:
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