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Target
Ephrin type-B receptor 4
Ligand
BDBM50393034
Substrate
n/a
Meas. Tech.
ChEMBL_853587 (CHEMBL2154042)
IC50
300±n/a nM
Citation
 Zhao, H; Dong, J; Lafleur, K; Nevado, C; Caflisch, A Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS Med Chem Lett 3:834-838 (2012) [PubMed]  Article 
Target
Name:
Ephrin type-B receptor 4
Synonyms:
EPHB4 | EPHB4_HUMAN | Ephrin receptor | Ephrin type-B receptor 4 precursor (Tyrosine-protein kinase receptor HTK). | HTK | Hepatoma transmembrane kinase | MYK1 | TYRO11 | Tyrosine-protein kinase TYRO11 | VHL/Ephrin type-B receptor 4
Type:
Enzyme
Mol. Mass.:
108273.51
Organism:
Homo sapiens (Human)
Description:
P54760
Residue:
987
Sequence:
MELRVLLCWASLAAALEETLLNTKLETADLKWVTFPQVDGQWEELSGLDEEQHSVRTYEVCDVQRAPGQAHWLRTGWVPRRGAVHVYATLRFTMLECLSLPRAGRSCKETFTVFYYESDADTATALTPAWMENPYIKVDTVAAEHLTRKRPGAEATGKVNVKTLRLGPLSKAGFYLAFQDQGACMALLSLHLFYKKCAQLTVNLTRFPETVPRELVVPVAGSCVVDAVPAPGPSPSLYCREDGQWAEQPVTGCSCAPGFEAAEGNTKCRACAQGTFKPLSGEGSCQPCPANSHSNTIGSAVCQCRVGYFRARTDPRGAPCTTPPSAPRSVVSRLNGSSLHLEWSAPLESGGREDLTYALRCRECRPGGSCAPCGGDLTFDPGPRDLVEPWVVVRGLRPDFTYTFEVTALNGVSSLATGPVPFEPVNVTTDREVPPAVSDIRVTRSSPSSLSLAWAVPRAPSGAVLDYEVKYHEKGAEGPSSVRFLKTSENRAELRGLKRGASYLVQVRARSEAGYGPFGQEHHSQTQLDESEGWREQLALIAGTAVVGVVLVLVVIVVAVLCLRKQSNGREAEYSDKHGQYLIGHGTKVYIDPFTYEDPNEAVREFAKEIDVSYVKIEEVIGAGEFGEVCRGRLKAPGKKESCVAIKTLKGGYTERQRREFLSEASIMGQFEHPNIIRLEGVVTNSMPVMILTEFMENGALDSFLRLNDGQFTVIQLVGMLRGIASGMRYLAEMSYVHRDLAARNILVNSNLVCKVSDFGLSRFLEENSSDPTYTSSLGGKIPIRWTAPEAIAFRKFTSASDAWSYGIVMWEVMSFGERPYWDMSNQDVINAIEQDYRLPPPPDCPTSLHQLMLDCWQKDRNARPRFPQVVSALDKMIRNPASLKIVARENGGASHPLLDQRQPHYSAFGSVGEWLRAIKMGRYEESFAAAGFGSFELVSQISAEDLLRIGVTLAGHQKKILASVQHMKSQAKPGTPGGTGGPAPQY
  
Inhibitor
Name:
BDBM50393034
Synonyms:
CHEMBL2152704
Type:
Small organic molecule
Emp. Form.:
C18H18N4O2
Mol. Mass.:
322.3611
SMILES:
Cc1ccc(O)cc1-n1c2ncnc(N)c2c2CCCCc2c1=O |(21.85,-7.48,;23.19,-8.25,;24.52,-7.48,;25.87,-8.25,;25.86,-9.8,;27.2,-10.57,;24.52,-10.56,;23.19,-9.78,;21.86,-10.55,;20.52,-9.78,;20.52,-8.25,;19.2,-7.49,;17.87,-8.26,;17.88,-9.78,;16.54,-10.55,;19.19,-10.54,;19.18,-12.07,;17.85,-12.85,;17.85,-14.39,;19.18,-15.15,;20.52,-14.39,;20.51,-12.85,;21.85,-12.09,;23.18,-12.87,)|
Structure:
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