Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [S768I]
Ligand
BDBM557872
Substrate
n/a
Meas. Tech.
Cell Viability Assay and IC50 Estimation
IC50
5.00±n/a nM
Citation
 Heymach, J; Robichaux, J; Nilsson, M; Jones, P; Cross, J; Theroff, J Heterocyclic inhibitors of tyrosine kinase US Patent  US11365189 Publication Date 6/21/2022 
Target
Name:
Epidermal growth factor receptor [S768I]
Synonyms:
EGFR | EGFR_HUMAN | ERBB | ERBB1 | HER1 | egfr s768i
Type:
Enzyme Catalytic Domain
Mol. Mass.:
134305.67
Organism:
Homo sapiens (Human)
Description:
P00533[S768I]
Residue:
1210
Sequence:
MRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLSLQRMFNNCEVVLGNLEITYVQRNYDLSFLKTIQEVAGYVLIALNTVERIPLENLQIIRGNMYYENSYALAVLSNYDANKTGLKELPMRNLQEILHGAVRFSNNPALCNVESIQWRDIVSSDFLSNMSMDFQNHLGSCQKCDPSCPNGSCWGAGEENCQKLTKIICAQQCSGRCRGKSPSDCCHNQCAAGCTGPRESDCLVCRKFRDEATCKDTCPPLMLYNPTTYQMDVNPEGKYSFGATCVKKCPRNYVVTDHGSCVRACGADSYEMEEDGVRKCKKCEGPCRKVCNGIGIGEFKDSLSINATNIKHFKNCTSISGDLHILPVAFRGDSFTHTPPLDPQELDILKTVKEITGFLLIQAWPENRTDLHAFENLEIIRGRTKQHGQFSLAVVSLNITSLGLRSLKEISDGDVIISGNKNLCYANTINWKKLFGTSGQKTKIISNRGENSCKATGQVCHALCSPEGCWGPEPRDCVSCRNVSRGRECVDKCNLLEGEPREFVENSECIQCHPECLPQAMNITCTGRGPDNCIQCAHYIDGPHCVKTCPAGVMGENNTLVWKYADAGHVCHLCHPNCTYGCTGPGLEGCPTNGPKIPSIATGMVGALLLLLVVALGIGLFMRRRHIVRKRTLRRLLQERELVEPLTPSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMAIVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQGFFSSPSTSRTPLLSSLSATSNNSTVACIDRNGLQSCPIKEDSFLQRYSSDPTGALTEDSIDDTFLPVPEYINQSVPKRPAGSVQNPVYHNQPLNPAPSRDPHYQDPHSTAVGNPEYLNTVQPTCVNSTFDSPAHWAQKGSHQISLDNPDYQQDFFPKEAKPNGIFKGSTAENAEYLRVAPQSSEFIGA
  
Inhibitor
Name:
BDBM557872
Synonyms:
1-(4-((4-((4-bromo-3- chlorophenyl)amino)-7- methoxyquinazolin-6-yl)- oxy)piperidin-1-yl)prop-2- en-1-one | US11365189, Ex. No. 37
Type:
Small organic molecule
Emp. Form.:
C23H22BrClN4O3
Mol. Mass.:
517.803
SMILES:
COc1cc2ncnc(Nc3ccc(Br)c(Cl)c3)c2cc1OC1CCN(CC1)C(=O)C=C
Structure:
Search PDB for entries with ligand similarity: