Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50428234
Substrate
n/a
Meas. Tech.
ChEMBL_946427 (CHEMBL2339607)
IC50
4100±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:
BDBM50428234
Synonyms:
CHEMBL2336575
Type:
Small organic molecule
Emp. Form.:
C65H92N16O17
Mol. Mass.:
1369.523
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)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:22.24,4.4,62.65,75.78,wD:8.20,29.31,34.35,49.53,57.61,69.72,87.91,(22.06,-4.02,;23.55,-3.62,;23.95,-2.13,;24.64,-4.72,;26.12,-4.31,;27.21,-5.41,;26.81,-6.89,;25.33,-7.29,;27.84,-8.03,;29.35,-7.72,;29.83,-6.25,;28.92,-5,;29.83,-3.75,;31.29,-4.23,;32.62,-3.46,;33.96,-4.23,;33.96,-5.77,;32.62,-6.54,;31.29,-5.77,;27.45,-9.52,;28.54,-10.61,;30.02,-10.21,;28.14,-12.1,;29.23,-13.19,;26.65,-12.5,;25.56,-11.41,;26.52,-2.82,;28.01,-2.43,;25.43,-1.74,;25.83,-.25,;27.32,.15,;24.74,.84,;23.26,.44,;25.14,2.34,;24.05,3.42,;24.45,4.91,;25.94,5.32,;27.03,4.22,;28.51,4.62,;28.92,6.11,;30.4,6.5,;27.82,7.2,;26.34,6.81,;22.57,3.03,;22.17,1.55,;21.48,4.12,;21.72,5.64,;20.35,6.33,;19.26,5.25,;19.95,3.88,;19.26,2.5,;20.03,1.16,;17.72,2.5,;16.95,1.16,;15.41,1.16,;14.64,2.5,;14.64,-.17,;13.1,-.17,;12.33,1.16,;12.33,-1.51,;13.1,-2.84,;10.79,-1.51,;10.02,-2.84,;10.79,-4.17,;12.33,-4.17,;10.02,-5.51,;8.48,-2.84,;7.71,-1.51,;7.71,-4.17,;6.17,-4.17,;5.4,-2.84,;6.17,-1.51,;5.4,-5.51,;6.17,-6.84,;3.86,-5.51,;3.09,-6.84,;3.86,-8.18,;3.09,-9.51,;3.86,-10.84,;3.09,-12.18,;1.55,-12.18,;.78,-13.51,;.78,-10.84,;1.55,-9.51,;1.55,-6.84,;.78,-5.51,;.78,-8.18,;-.78,-8.18,;-1.55,-6.84,;-3.09,-6.84,;-3.86,-5.51,;-5.4,-5.51,;-6.17,-4.17,;-5.4,-2.84,;-7.71,-4.17,;-1.55,-9.51,;-.78,-10.84,;-3.09,-9.51,)|
Structure:
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