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Target
Epidermal growth factor receptor
Ligand
BDBM50518964
Substrate
n/a
Meas. Tech.
ChEMBL_1873760 (CHEMBL4375049)
IC50
28±n/a nM
Citation
 Shen, J; Zhang, T; Zhu, SJ; Sun, M; Tong, L; Lai, M; Zhang, R; Xu, W; Wu, R; Ding, J; Yun, CH; Xie, H; Lu, X; Ding, K Structure-Based Design of 5-Methylpyrimidopyridone Derivatives as New Wild-Type Sparing Inhibitors of the Epidermal Growth Factor Receptor Triple Mutant (EGFR J Med Chem 62:7302-7308 (2019) [PubMed]  Article 
Target
Name:
Epidermal growth factor receptor
Synonyms:
EGF Receptor Substrate | EGFR | EGFR_HUMAN | ERBB | ERBB1 | Epidermal Growth Factor Receptor Tyrosine Kinase | Epidermal Growth Factor Receptor erbB-1 | Epidermal Growth Factor Receptor, ErbB-1 | Epidermal growth factor receptor (EGFR) | Epidermal growth factor receptor (HER1) | HER1 | Protein-Tyrosine Kinase Erbb-1 | Proto-oncogene c-ErbB-1 | Receptor tyrosine-protein kinase ErbB-1 | Tyrosine-Protein Kinase ErbB-1
Type:
Receptor Kinase Domain
Mol. Mass.:
134279.59
Organism:
Homo sapiens (Human)
Description:
P00533
Residue:
1210
Sequence:
MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM50518964
Synonyms:
CHEMBL4474196
Type:
Small organic molecule
Emp. Form.:
C34H39ClFN7O2
Mol. Mass.:
632.171
SMILES:
CCC(=O)N1CCC[C@H](C1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)c(-c2cccc(F)c2Cl)c1=O |r,wU:8.10,(82.57,-15.22,;81.24,-14.46,;81.24,-12.92,;82.57,-12.14,;79.9,-12.14,;78.57,-12.92,;77.23,-12.14,;77.23,-10.61,;78.57,-9.84,;79.91,-10.6,;78.57,-8.3,;77.24,-7.53,;75.9,-8.32,;74.58,-7.54,;73.25,-8.32,;73.25,-9.86,;74.59,-10.62,;74.59,-12.17,;73.25,-12.94,;73.25,-14.47,;71.92,-15.24,;71.91,-16.77,;73.24,-17.55,;73.24,-19.09,;74.58,-16.78,;74.59,-15.24,;71.92,-12.17,;70.58,-12.94,;71.92,-10.63,;74.57,-6.01,;75.89,-5.24,;77.23,-6,;78.55,-5.23,;78.54,-3.69,;79.89,-5.98,;81.21,-5.21,;82.56,-5.97,;83.88,-5.2,;83.87,-3.66,;82.52,-2.89,;82.51,-1.35,;81.2,-3.68,;79.86,-2.92,;79.9,-7.52,;81.24,-8.29,)|
Structure:
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