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Target
Receptor tyrosine-protein kinase erbB-2 [1-780,'GSP',781-1255]
Ligand
BDBM557870
Substrate
n/a
Meas. Tech.
Cell Viability Assay and IC50 Estimation
IC50
21.0±n/a nM
Citation
 Heymach, J; Robichaux, J; Nilsson, M; Jones, P; Cross, J; Theroff, J Heterocyclic inhibitors of tyrosine kinase US Patent  US11365189 Publication Date 6/21/2022 
Target
Name:
Receptor tyrosine-protein kinase erbB-2 [1-780,'GSP',781-1255]
Synonyms:
ERBB2 | ERBB2_HUMAN | HER2 | Her2 P780_Y781insGSP(GSP) | MLN19 | NEU | NGL
Type:
Enzyme Catalytic Domain
Mol. Mass.:
138135.71
Organism:
Homo sapiens (Human)
Description:
P04626[1-780,'GSP',781-1255]
Residue:
1258
Sequence:
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
  
Inhibitor
Name:
BDBM557870
Synonyms:
1-(3-((4-((3,4-dichloro-2- fluorophenyl)amino)-7- methoxyquinazolin-6-yl)- oxy)pyrrolidin-1-yl)prop-2- en-1-one | US11365189, Ex. No. 32
Type:
Small organic molecule
Emp. Form.:
C22H19Cl2FN4O3
Mol. Mass.:
477.316
SMILES:
COc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2cc1OC1CCN(C1)C(=O)C=C
Structure:
Search PDB for entries with ligand similarity: