Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50428224
Substrate
n/a
Meas. Tech.
ChEMBL_946427 (CHEMBL2339607)
IC50
510±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:
BDBM50428224
Synonyms:
CHEMBL2337009
Type:
Small organic molecule
Emp. Form.:
C148H217N35O35
Mol. Mass.:
3046.5201
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCCCCCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CO)C(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O |r,wU:185.193,163.173,126.130,108.120,74.96,51.62,41.43,13.22,4.4,212.221,wD:171.189,158.164,146.160,139.142,130.134,120.126,97.107,63.73,45.49,36.38,25.25,8.8,198.205,(14.19,-10.02,;12.79,-10.6,;12.58,-12.14,;11.55,-9.65,;10.14,-10.23,;8.94,-9.3,;9.14,-7.76,;10.55,-7.18,;7.94,-6.83,;6.51,-7.42,;8.14,-5.29,;6.93,-4.36,;5.5,-4.95,;7.13,-2.82,;8.55,-2.23,;9.78,-3.18,;9.56,-4.72,;10.77,-5.67,;12.19,-5.09,;13.41,-6.03,;12.41,-3.57,;11.19,-2.62,;5.92,-1.88,;6.12,-.36,;7.55,.25,;4.91,.59,;3.51,-.07,;2.59,1.33,;3.63,2.65,;5.21,2.07,;6.54,2.82,;6.55,4.36,;7.86,2.05,;9.21,2.8,;10.53,2.03,;10.52,.49,;11.87,2.78,;11.89,4.32,;13.2,1.99,;14.54,2.76,;14.55,4.3,;15.87,1.97,;17.21,2.74,;18.53,1.95,;18.52,.41,;19.87,2.7,;19.89,4.24,;21.23,5.01,;21.2,1.93,;22.54,2.68,;22.56,4.22,;23.87,1.91,;23.85,.37,;22.51,-.41,;22.5,-1.95,;21.16,-2.7,;19.83,-1.92,;18.49,-2.68,;19.85,-.38,;21.19,.39,;25.21,2.66,;26.53,1.87,;26.52,.33,;27.88,2.63,;27.89,4.17,;26.56,4.95,;26.58,6.49,;25.25,7.28,;25.27,8.82,;26.61,9.57,;23.94,9.59,;29.2,1.85,;30.54,2.6,;30.56,4.14,;31.87,1.82,;31.85,.28,;30.51,-.48,;30.5,-2.02,;31.83,-2.8,;31.81,-4.34,;30.47,-5.1,;29.14,-4.32,;30.46,-6.64,;31.79,-7.44,;31.75,-8.99,;33.07,-9.78,;33.04,-11.33,;34.36,-12.14,;34.33,-13.69,;35.66,-14.49,;35.62,-16.04,;36.95,-16.84,;36.91,-18.39,;35.56,-19.13,;33.21,2.58,;34.54,1.8,;34.52,.26,;35.88,2.55,;35.89,4.09,;34.56,4.88,;34.58,6.42,;33.25,7.2,;33.27,8.74,;34.61,9.5,;31.94,9.52,;37.2,1.77,;38.54,2.53,;38.56,4.07,;39.87,1.74,;39.86,.2,;38.51,-.56,;38.5,-2.1,;37.16,-2.85,;35.84,-2.07,;34.49,-2.83,;35.85,-.53,;37.19,.23,;41.21,2.51,;42.54,1.72,;42.52,.18,;43.88,2.47,;43.89,4.01,;45.23,4.78,;45.2,1.7,;46.54,2.45,;46.56,3.99,;47.87,1.68,;49.21,2.43,;50.54,1.64,;50.52,.1,;51.88,2.41,;51.89,3.95,;53.21,1.62,;54.55,2.39,;54.56,3.93,;55.87,1.6,;57.21,2.35,;58.49,1.5,;58.38,-.05,;59.87,2.16,;59.9,3.72,;61.56,3.94,;62.29,2.43,;61.07,1.27,;61.16,-.28,;59.88,-1.13,;62.54,-.97,;63.83,-.12,;65.2,-.81,;65.3,-2.35,;66.67,-3.04,;67.96,-2.19,;69.33,-2.88,;67.86,-.66,;66.49,.05,;62.63,-2.51,;61.35,-3.36,;59.97,-2.67,;61.44,-4.89,;62.81,-5.58,;60.15,-5.74,;60.24,-7.28,;61.62,-7.97,;58.96,-8.13,;57.58,-7.44,;57.49,-5.9,;56.11,-5.21,;58.78,-5.05,;59.05,-9.66,;57.76,-10.51,;56.39,-9.82,;57.85,-12.05,;59.23,-12.74,;60.52,-11.89,;60.59,-10.35,;62.07,-9.95,;62.92,-11.23,;64.44,-11.46,;65,-12.89,;64.04,-14.1,;62.52,-13.87,;61.96,-12.43,;56.57,-12.9,;56.66,-14.43,;58.04,-15.12,;55.37,-15.28,;55.46,-16.82,;54,-14.59,;53.91,-13.05,;47.86,.14,;49.18,-.66,;46.52,-.63,;15.85,.43,;17.18,-.36,;14.51,-.33,;9.94,-11.77,;8.5,-12.37,;11.15,-12.7,;10.94,-14.25,;9.5,-14.84,;9.3,-16.35,;10.39,-17.41,;9.71,-18.8,;8.19,-18.58,;7.01,-19.57,;5.57,-19.05,;5.31,-17.53,;6.48,-16.54,;7.92,-17.07,;12.15,-15.17,;13.55,-14.59,;11.94,-16.72,;13.15,-17.64,;14.56,-17.06,;15.79,-18.01,;12.95,-19.19,;14.15,-20.12,;11.5,-19.79,)|
Structure:
Search PDB for entries with ligand similarity: