Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50428233
Substrate
n/a
Meas. Tech.
ChEMBL_946427 (CHEMBL2339607)
IC50
6300±n/a nM
Citation
 Duggineni, S; Mitra, S; Lamberto, I; Han, X; Xu, Y; An, J; Pasquale, EB; Huang, Z Design and Synthesis of Potent Bivalent Peptide Agonists Targeting the EphA2 Receptor. ACS Med Chem Lett 4:344-8 (2013) [PubMed]  Article 
Target
Name:
Ephrin type-A receptor 2
Synonyms:
ECK | EPHA2 | EPHA2_HUMAN | Ephrin receptor | Epithelial cell kinase | Tyrosine-protein kinase receptor ECK
Type:
PROTEIN
Mol. Mass.:
108260.70
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1505248
Residue:
976
Sequence:
MELQAARACFALLWGCALAAAAAAQGKEVVLLDFAAAGGELGWLTHPYGKGWDLMQNIMNDMPIYMYSVCNVMSGDQDNWLRTNWVYRGEAERIFIELKFTVRDCNSFPGGASSCKETFNLYYAESDLDYGTNFQKRLFTKIDTIAPDEITVSSDFEARHVKLNVEERSVGPLTRKGFYLAFQDIGACVALLSVRVYYKKCPELLQGLAHFPETIAGSDAPSLATVAGTCVDHAVVPPGGEEPRMHCAVDGEWLVPIGQCLCQAGYEKVEDACQACSPGFFKFEASESPCLECPEHTLPSPEGATSCECEEGFFRAPQDPASMPCTRPPSAPHYLTAVGMGAKVELRWTPPQDSGGREDIVYSVTCEQCWPESGECGPCEASVRYSEPPHGLTRTSVTVSDLEPHMNYTFTVEARNGVSGLVTSRSFRTASVSINQTEPPKVRLEGRSTTSLSVSWSIPPPQQSRVWKYEVTYRKKGDSNSYNVRRTEGFSVTLDDLAPDTTYLVQVQALTQEGQGAGSKVHEFQTLSPEGSGNLAVIGGVAVGVVLLLVLAGVGFFIHRRRKNQRARQSPEDVYFSKSEQLKPLKTYVDPHTYEDPNQAVLKFTTEIHPSCVTRQKVIGAGEFGEVYKGMLKTSSGKKEVPVAIKTLKAGYTEKQRVDFLGEAGIMGQFSHHNIIRLEGVISKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIAAGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSFGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERARRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSGSEGVPFRTVSEWLESIKMQQYTEHFMAAGYTAIEKVVQMTNDDIKRIGVRLPGHQKRIAYSLLGLKDQVNTVGIPI
  
Inhibitor
Name:
BDBM50428233
Synonyms:
CHEMBL2336576
Type:
Small organic molecule
Emp. Form.:
C65H92N16O16
Mol. Mass.:
1353.5236
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:22.25,4.4,61.64,74.77,wD:8.20,28.30,33.34,48.52,56.60,68.71,86.90,(67.75,-4.48,;69.25,-4.08,;69.65,-2.6,;70.33,-5.17,;71.82,-4.77,;72.91,-5.86,;72.52,-7.35,;71.03,-7.74,;73.54,-8.5,;75.05,-8.18,;75.53,-6.71,;74.63,-5.46,;75.53,-4.22,;76.99,-4.69,;78.33,-3.92,;79.66,-4.69,;79.66,-6.23,;78.33,-7,;76.99,-6.23,;73.14,-9.98,;74.24,-11.07,;75.72,-10.68,;73.84,-12.56,;72.35,-12.96,;74.92,-13.66,;72.22,-3.28,;73.71,-2.89,;71.13,-2.2,;71.53,-.71,;73.03,-.3,;70.44,.38,;68.95,-.02,;70.84,1.88,;69.75,2.97,;70.15,4.46,;71.64,4.86,;72.73,3.76,;74.22,4.17,;74.62,5.66,;76.11,6.05,;73.52,6.74,;72.04,6.35,;68.27,2.57,;67.87,1.09,;67.17,3.66,;67.41,5.19,;66.04,5.87,;64.96,4.79,;65.65,3.42,;64.96,2.04,;65.72,.7,;63.42,2.04,;62.64,.7,;61.1,.7,;60.33,2.04,;60.33,-.63,;58.79,-.63,;58.02,.7,;58.02,-1.97,;58.79,-3.3,;56.48,-1.97,;55.71,-3.3,;56.48,-4.63,;58.02,-4.63,;55.71,-5.97,;54.17,-3.3,;53.39,-1.97,;53.39,-4.63,;51.85,-4.63,;51.09,-3.3,;51.85,-1.97,;51.09,-5.97,;51.85,-7.31,;49.55,-5.97,;48.77,-7.31,;49.55,-8.64,;48.77,-9.97,;49.55,-11.31,;48.77,-12.64,;47.23,-12.64,;46.46,-13.97,;46.46,-11.31,;47.23,-9.97,;47.23,-7.31,;46.46,-5.97,;46.46,-8.64,;44.92,-8.64,;44.15,-7.31,;42.61,-7.31,;41.84,-5.97,;40.3,-5.97,;39.52,-4.63,;40.3,-3.3,;37.98,-4.63,;44.15,-9.97,;44.92,-11.31,;42.61,-9.97,)|
Structure:
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