Reaction Details Report a problem with these data
Target
Receptor tyrosine-protein kinase erbB-2
Ligand
BDBM27965
Substrate
Biotinylated ErbB-2 Peptide Substrate
Meas. Tech.
In Vitro Kinase Inhibition Assay
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
44±n/a nM
Citation
 Hubbard, RD; Bamaung, NY; Fidanze, SD; Erickson, SA; Palazzo, F; Wilsbacher, JL; Zhang, Q; Tucker, LA; Hu, X; Kovar, P; Osterling, DJ; Johnson, EF; Bouska, J; Wang, J; Davidsen, SK; Bell, RL; Sheppard, GS Development of multitargeted inhibitors of both the insulin-like growth factor receptor (IGF-IR) and members of the epidermal growth factor family of receptor tyrosine kinases. Bioorg Med Chem Lett 19:1718-21 (2009) [PubMed]  Article 
Target
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:
MELAALCRWGLLLALLPPGAASTQVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGDPLNNTTPVTGASPGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGSCTLVCPLHNQEVTAEDGTQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSGVKPDLSYMPIWKFPDEEGACQPCPINCTHSCVDLDDKGCPAEQRASPLTSIISAVVGILLVVVLGVVFGILIKRRQQKIRKYTMRRLLQETELVEPLTPSGAMPNQAQMRILKETELRKVKVLGSGAFGTVYKGIWIPDGENVKIPVAIKVLRENTSPKANKEILDEAYVMAGVGSPYVSRLLGICLTSTVQLVTQLMPYGCLLDHVRENRGRLGSQDLLNWCMQIAKGMSYLEDVRLVHRDLAARNVLVKSPNHVKITDFGLARLLDIDETEYHADGGKVPIKWMALESILRRRFTHQSDVWSYGVTVWELMTFGAKPYDGIPAREIPDLLEKGERLPQPPICTIDVYMIMVKCWMIDSECRPRFRELVSEFSRMARDPQRFVVIQNEDLGPASPLDSTFYRSLLEDDDMGDLVDAEEYLVPQQGFFCPDPAPGAGGMVHHRHRSSSTRSGGGDLTLGLEPSEEEAPRSPLAPSEGAGSDVFDGDLGMGAAKGLQSLPTHDPSPLQRYSEDPTVPLPSETDGYVAPLTCSPQPEYVNQPDVRPQPPSPREGPLPAARPAGATLERPKTLSPGKNGVVKDVFAFGGAVENPEYLTPQGGAAPQPHPPPAFSPAFDNLYYWDQDPPERGAPPSTFKGTPTAENPEYLGLDVPV
  
Inhibitor
Name:
BDBM27965
Synonyms:
3-{2-[(2-methoxyphenyl)methyl]-1H-1,3-benzodiazol-6-yl}-1-[4-(piperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | substituted pyrazolopyrimidine, 10
Type:
Small organic molecule
Emp. Form.:
C30H35N9O
Mol. Mass.:
537.6586
SMILES:
COc1ccccc1Cc1nc2ccc(cc2[nH]1)-c1nn([C@H]2CC[C@@H](CC2)N2CCNCC2)c2ncnc(N)c12 |r,wU:24.30,wD:21.23,(8.83,13.92,;7.49,13.15,;7.49,11.61,;8.83,10.84,;8.83,9.3,;7.49,8.53,;6.16,9.3,;6.16,10.84,;4.72,11.39,;3.53,10.41,;2.04,10.8,;1.21,9.5,;-.31,9.25,;-.85,7.81,;.12,6.62,;1.64,6.87,;2.19,8.31,;3.62,8.87,;-.35,5.15,;.55,3.91,;-.35,2.66,;.42,1.33,;-.41,.03,;.29,-1.34,;1.83,-1.41,;2.66,-.11,;1.96,1.26,;2.6,-2.74,;1.94,-4.13,;2.81,-5.4,;4.35,-5.28,;5.01,-3.89,;4.14,-2.62,;-1.82,3.14,;-3.15,2.37,;-4.48,3.14,;-4.48,4.68,;-3.15,5.45,;-3.15,6.99,;-1.82,4.68,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Biotinylated ErbB-2 Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4131.76
Organism:
n/a
Description:
n/a
Residue:
37
Sequence:
ITINAMINHEANICACIDGGMEDIYFEFMGGKKKCNH