Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]
Ligand
BDBM561449
Substrate
n/a
Meas. Tech.
TBD
IC50
0.052±n/a nM
Citation
 Wu, L; Liu, X; Ding, CZ; Chen, S; Hu, L; Zhao, L; Pan, W; Hu, G; Li, J; Zhao, N; Zhao, J Aryl-phosphorus-oxygen compound as EGFR kinase inhibitor US Patent  US11390625 Publication Date 7/19/2022 
Target
Name:
Epidermal growth factor receptor [1-18,20-1210,T790M,C797S]
Synonyms:
EGFR | EGFR_HUMAN | ERBB | ERBB1 | Epidermal growth factor receptor (EGFR)(del19/T790M/C797S) | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
134190.47
Organism:
Homo sapiens (Human)
Description:
P00533[1-18,20-1210,T790M,C797S]
Residue:
1209
Sequence:
MRPSGTAGAALLALLAALPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM561449
Synonyms:
US11390625, Compound 23 | US11390625, Example 23
Type:
Small organic molecule
Emp. Form.:
C32H38BrN6O2P
Mol. Mass.:
649.561
SMILES:
COc1cc(N2CCC3(CN(C)C3)CC2)c(C)cc1Nc1ncc(Br)c(Nc2ccc3ccccc3c2P(C)(C)=O)n1
Structure:
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