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Target
Epidermal growth factor receptor
Ligand
BDBM50579388
Substrate
n/a
Meas. Tech.
ChEMBL_2135214 (CHEMBL4844824)
IC50
1.3±n/a nM
Citation
 Yuan, S; Wang, B; Dai, QQ; Zhang, XN; Zhang, JY; Zuo, JH; Liu, H; Chen, ZS; Li, GB; Wang, S; Liu, HM; Yu, B Discovery of New 4-Indolyl Quinazoline Derivatives as Highly Potent and Orally Bioavailable P-Glycoprotein Inhibitors. J Med Chem 64:14895-14911 (2021) [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:
BDBM50579388
Synonyms:
CHEMBL4877510
Type:
Small organic molecule
Emp. Form.:
C32H34N4O3
Mol. Mass.:
522.6374
SMILES:
CCn1c(c(-c2ncnc3cc(OC)c(OCCCN4CCOCC4)cc23)c2ccccc12)-c1ccccc1 |(17.6,-27.88,;16.07,-27.72,;15.17,-28.96,;15.64,-30.43,;14.4,-31.33,;14.4,-32.87,;15.75,-33.65,;15.74,-35.21,;14.4,-35.98,;13.06,-35.2,;11.73,-35.97,;10.39,-35.2,;9.06,-35.97,;7.73,-35.2,;10.4,-33.65,;9.06,-32.88,;7.73,-33.65,;6.39,-32.88,;5.06,-33.65,;3.73,-32.88,;3.73,-31.34,;2.41,-30.58,;1.07,-31.34,;1.07,-32.88,;2.4,-33.66,;11.72,-32.88,;13.06,-33.65,;13.15,-30.43,;11.65,-30.74,;10.61,-29.6,;11.09,-28.12,;12.61,-27.81,;13.64,-28.96,;17.11,-30.9,;17.42,-32.41,;18.88,-32.89,;20.03,-31.86,;19.7,-30.34,;18.24,-29.87,)|
Structure:
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