Reaction Details |
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Target | Receptor tyrosine-protein kinase erbB-2 |
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Ligand | BDBM50301113 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_598553 (CHEMBL1043545) |
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IC50 | 11.5±n/a nM |
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Citation | Li, YL; Shi, E; Burns, D; Li, Y; Covington, MB; Pan, M; Scherle, P; Friedman, S; Metcalf, B; Yao, W Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety. Bioorg Med Chem Lett19:5037-42 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Receptor tyrosine-protein kinase erbB-2 |
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Name: | Receptor tyrosine-protein kinase erbB-2 |
Synonyms: | 2.7.10.1 | C-erbB-2 | CD_antigen=CD340 | ERBB2 | ERBB2_HUMAN | ErbB-2/ErbB-3 heterodimer | FASN/HER2 | HER-2 Substrate | HER2 | MLN 19 | MLN19 | Metastatic lymph node gene 19 protein | NEU | NGL | Proto-oncogene Neu | Proto-oncogene c-ErbB-2 | Tyrosine kinase-type cell surface receptor HER2 | p185erbB2 |
Type: | n/a |
Mol. Mass.: | 137894.47 |
Organism: | Homo sapiens (Human) |
Description: | P04626 |
Residue: | 1255 |
Sequence: | MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNL
ELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNG
DPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLA
LTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQC
AAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACP
YNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSAN
IQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLP
DLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTV
PWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQEC
VEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARC
PSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVG
ILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETEL
RKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSP
YVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVR
LVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFT
HQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWM
IDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDA
EEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEG
AGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYV
NQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQ
GGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
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BDBM50301113 |
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n/a |
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Name | BDBM50301113 |
Synonyms: | (3S,5S,6S)-5-(hydroxycarbamoyl)-1-methyl-6-(4-phenylpiperazine-1-carbonyl)piperidin-3-yl pyrrolidine-1-carboxylate | CHEMBL585299 |
Type | Small organic molecule |
Emp. Form. | C23H33N5O5 |
Mol. Mass. | 459.5386 |
SMILES | CN1C[C@H](C[C@@H]([C@H]1C(=O)N1CCN(CC1)c1ccccc1)C(=O)NO)OC(=O)N1CCCC1 |r| |
Structure |
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