| Reaction Details |
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 | Report a problem with these data |
| Target | Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] |
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| Ligand | BDBM50161957 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Potency Assessment EGFR (WT) and EGFR Mutants |
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| IC50 | 1.20±n/a nM |
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| Citation |  Yang, Z; Zhang, X ErbB/BTK inhibitors US Patent US11896597 Publication Date 2/13/2024 |
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| More Info.: | Get all data from this article, Assay Method |
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| Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] |
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| Name: | Receptor tyrosine-protein kinase erbB-2 [1-775,'YVMA',776-1255] |
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| Synonyms: | ERBB2 | ERBB2_HUMAN | HER2 | Her2 A775_G776insYVMA(YVMA) | MLN19 | NEU | NGL |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 138359.05 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P04626[1-775,'YVMA',776-1255] |
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| Residue: | 1259 |
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| Sequence: | MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNL
ELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNG
DPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLA
LTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQC
AAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACP
YNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSAN
IQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLP
DLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTV
PWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQEC
VEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARC
PSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVG
ILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETEL
RKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAYVMAG
VGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYL
EDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILR
RRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMV
KCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGD
LVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLA
PSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQ
PEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEY
LTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
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| BDBM50161957 |
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| n/a |
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| Name | BDBM50161957 |
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| Synonyms: | 4-Dimethylamino-but-2-enoic acid {4-[3-chloro-4-(pyridin-2-ylmethoxy)-phenylamino]-3-cyano-7-ethoxy-quinolin-6-yl}-amide | CHEMBL180022 | HKI-272 | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide | N-(4-(3-chloro-4-(pyridin-2-ylmethoxy)phenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)butanamide | NERATINIB | US10822334, Compound Neratinib | US11896597, Compound Neratinib | US20230382923, Compound Neratinib |
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| Type | Small organic molecule |
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| Emp. Form. | C30H29ClN6O3 |
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| Mol. Mass. | 557.043 |
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| SMILES | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C |
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| Structure | 
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