Reaction Details Report a problem with these data
Target
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255]
Ligand
BDBM536970
Substrate
n/a
Meas. Tech.
Potency Assessment EGFR (WT) and EGFR Mutants
IC50
9.30±n/a nM
Citation
 Yang, Z; Zhang, X ErbB/BTK inhibitors US Patent  US11896597 Publication Date 2/13/2024 
Target
Name:
Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255]
Synonyms:
ERBB2 | ERBB2_HUMAN | HER2 | Her2 A775_G776insYVMA(YVMA) | MLN19 | NEU | NGL
Type:
Enzyme Catalytic Domain
Mol. Mass.:
138359.05
Organism:
Homo sapiens (Human)
Description:
P04626[1-775,'YVMA',776-1255]
Residue:
1259
Sequence:
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
  
Inhibitor
Name:
BDBM536970
Synonyms:
US11896597, Compound 86
Type:
Small organic molecule
Emp. Form.:
C30H37ClFN7O3
Mol. Mass.:
598.111
SMILES:
COc1cc(N2CC[C@@H](CN(C)C)C2)c(NC(=O)C=C)cc1Nc1nccc(Nc2cc(Cl)c(F)cc2C(C)(C)O)n1 |r|
Structure:
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