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Target
Ephrin type-B receptor 4
Ligand
BDBM50393035
Substrate
n/a
Meas. Tech.
ChEMBL_853586 (CHEMBL2154041)
IC50
8400±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:
BDBM50393035
Synonyms:
CHEMBL2152698
Type:
Small organic molecule
Emp. Form.:
C18H18N4O
Mol. Mass.:
306.3617
SMILES:
Cc1ccccc1-n1c2ncnc(N)c2c2CCCCc2c1=O |(-4.18,5.32,;-2.85,4.55,;-1.51,5.32,;-.17,4.55,;-.18,3,;-1.51,2.24,;-2.85,3.02,;-4.18,2.25,;-5.52,3.02,;-5.52,4.55,;-6.84,5.31,;-8.17,4.54,;-8.16,3.02,;-9.5,2.25,;-6.85,2.26,;-6.85,.73,;-8.18,-.05,;-8.18,-1.59,;-6.85,-2.35,;-5.52,-1.59,;-5.53,-.05,;-4.19,.71,;-2.86,-.07,)|
Structure:
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