Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210]
Ligand
BDBM495019
Substrate
n/a
Meas. Tech.
TR-FRET Assay for ERBB Kinases
IC50
1.30±n/a nM
Citation
 Crew, AP; Zimmermann, K; Wang, J; Crews, CM; Jaime-Figueroa, S; Burslem, G EGFR proteolysis targeting chimeric molecules and associated methods of use US Patent  US10994015 Publication Date 5/4/2021 
Target
Name:
Epidermal growth factor receptor [1-18,20-745,747-749,751-1210]
Synonyms:
EGFR | EGFR Delta 19/746/750 | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
133977.26
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
1207
Sequence:
MRPSGTAGAALLALLAALPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKLRETSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM495019
Synonyms:
US10994015, Example 319
Type:
Small organic molecule
Emp. Form.:
C40H42N12O7S
Mol. Mass.:
834.903
SMILES:
CC(C)n1nc(N2CC(CN[C@H]3C[C@@H](C3)Oc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)C2)c2cnc(Nc3ccnc(n3)-c3cnn(c3)S(=O)(=O)C3CC3)cc12 |r,wU:11.10,wD:13.15,(-8.98,2.82,;-10.07,3.91,;-11.56,3.51,;-9.67,5.39,;-8.26,6.02,;-8.42,7.55,;-7.28,8.58,;-7.28,10.12,;-5.74,10.12,;-4.64,11.25,;-3.15,10.87,;-2.07,11.97,;-1.59,13.44,;-.06,13.27,;-.56,11.65,;1.22,14.12,;2.56,13.35,;2.72,11.82,;4.12,11.2,;5.37,12.1,;6.88,11.78,;7.43,10.34,;7.65,13.11,;9.18,13.27,;10.08,12.03,;11.61,12.19,;12.24,13.6,;13.77,13.76,;11.34,14.84,;9.8,14.68,;8.9,15.93,;6.62,14.26,;6.86,15.78,;5.21,13.63,;3.8,14.26,;-5.74,8.58,;-9.93,7.87,;-10.7,9.21,;-12.24,9.21,;-13.01,7.87,;-14.55,7.87,;-15.32,6.54,;-16.86,6.54,;-17.63,5.2,;-16.86,3.87,;-15.32,3.87,;-14.55,5.2,;-14.55,2.54,;-13.02,2.38,;-12.7,.87,;-14.03,.1,;-15.18,1.13,;-14.19,-1.43,;-15.6,-2.06,;-12.95,-2.34,;-14.35,-2.96,;-15.5,-3.99,;-14.03,-4.47,;-12.24,6.54,;-10.7,6.54,)|
Structure:
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