Reaction Details Report a problem with these data
Target
Receptor tyrosine-protein kinase erbB-2
Ligand
BDBM5447
Substrate
n/a
IC50
318±n/a nM
Citation
 Dong, Y; Shih, C Quinazoline derivatives substituted by aniline, preparation method and use thereof US Patent  US10507209 Publication Date 12/17/2019 
Target
Name:
Receptor tyrosine-protein kinase erbB-2
Synonyms:
MLN 19 | HER-2 Substrate | Tyrosine kinase-type cell surface receptor HER2 | 2.7.10.1 | ErbB-2/ErbB-3 heterodimer | C-erbB-2 | FASN/HER2 | Metastatic lymph node gene 19 protein | NGL | CD_antigen=CD340 | ERBB2 | MLN19 | Proto-oncogene Neu | p185erbB2 | Proto-oncogene c-ErbB-2 | HER2 | ERBB2_HUMAN | NEU
Type:
n/a
Mol. Mass.:
137894.47
Organism:
Human
Description:
P04626
Residue:
1255
Sequence:
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
  
Inhibitor
Name:
BDBM5447
Synonyms:
ZD1839 | N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine | N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine | cid_123631 | CHEMBL939 | GEFITINIB | Iressa | US9416123, Gefitinib | US10106508, Gefitinib | US9730934, Gefitinib | US9783524, Gefitinib | US10507209, Compound Gefitinib | WO2022090481, Example gefitinib
Type:
Small organic molecule
Emp. Form.:
C22H24ClFN4O3
Mol. Mass.:
446.15
SMILES:
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Structure:
Search PDB for entries with ligand similarity: