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Target
Epidermal growth factor receptor
Ligand
BDBM50606499
Substrate
n/a
Meas. Tech.
ChEMBL_2260205 (CHEMBL5215216)
IC50
3.1±n/a nM
Citation
 He, J; Zhou, Z; Sun, X; Yang, Z; Zheng, P; Xu, S; Zhu, W The new opportunities in medicinal chemistry of fourth-generation EGFR inhibitors to overcome C797S mutation. Eur J Med Chem 210:0 (2021) [PubMed] 
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:
BDBM50606499
Synonyms:
CHEMBL5219777
Type:
Small organic molecule
Emp. Form.:
C32H39ClN8O2
Mol. Mass.:
603.157
SMILES:
CN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N([C@@H]4CC[C@@H](CC4)NC(C)=O)c3n2)c2ccccc2Cl)cc1C |r,wU:21.21,24.28,(-3.99,-8.08,;-3.99,-6.54,;-2.66,-5.77,;-2.66,-4.23,;-3.99,-3.46,;-5.32,-4.23,;-5.32,-5.77,;-3.99,-1.92,;-2.66,-1.15,;-2.66,.39,;-3.99,1.15,;-3.99,2.69,;-2.66,3.46,;-2.66,5,;-1.33,5.77,;.01,5,;1.33,5.77,;2.66,5.01,;2.66,3.47,;4,2.7,;1.34,2.7,;1.34,1.16,;0,.39,;0,-1.14,;1.34,-1.92,;2.67,-1.14,;2.67,.39,;1.34,-3.46,;2.67,-4.23,;2.67,-5.77,;4,-3.46,;.01,3.47,;-1.32,2.69,;3.99,5.78,;3.99,7.32,;5.32,8.08,;6.66,7.31,;6.66,5.78,;5.33,5,;5.33,3.46,;-5.33,.39,;-5.33,-1.16,;-6.66,-1.93,)|
Structure:
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