Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [T790M,L858R]
Ligand
BDBM517813
Substrate
n/a
Meas. Tech.
Kinase Inhibition Assay
IC50
<1±n/a nM
Citation
 Wang, Y; Ren, X; Jin, J; Li, H; Ai, Y Amino pyrimidine compound for inhibiting protein tyrosine kinase activity US Patent  US11111233 Publication Date 9/7/2021 
Target
Name:
Epidermal growth factor receptor [T790M,L858R]
Synonyms:
EGFR | EGFR (L858R, T790M) | EGFR_HUMAN | ERBB | ERBB1 | Epidermal growth factor receptor (EGFR) (T790M/L858R) | Epidermal growth factor receptor (EGFR)(T790M/L858R) | Epidermal growth factor receptor (T790M)(L858R) | Epidermal growth factor receptor (T790M, L858R) | Epidermal growth factor receptor (T790M/L858R) | Epidermal growth factor receptor(L858R, T790M) | HER1
Type:
n/a
Mol. Mass.:
134353.72
Organism:
Homo sapiens (Human)
Description:
P00533[T790M,L858R]
Residue:
1210
Sequence:
MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM517813
Synonyms:
Preparation of N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-5-((4-(4-fluoro-2-(fluoromethyl)-1-isopropyl-1H-benzo[d]imidazole-6-yl)pyrimidin-2-yl)amino)-4-methoxyphenyl)acrylamide | US11111233, Example 21
Type:
Small organic molecule
Emp. Form.:
C30H36F2N8O2
Mol. Mass.:
578.656
SMILES:
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cc(F)c2nc(CF)n(C(C)C)c2c1
Structure:
Search PDB for entries with ligand similarity: