Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50428221
Substrate
n/a
Meas. Tech.
ChEMBL_946427 (CHEMBL2339607)
IC50
470±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:
BDBM50428221
Synonyms:
CHEMBL2337012
Type:
Small organic molecule
Emp. Form.:
C136H201N35O34
Mol. Mass.:
2870.2652
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](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCNC(=O)CCCCCN)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:172.179,150.159,113.116,95.106,67.82,51.53,41.43,13.22,4.4,199.207,wD:158.175,145.150,133.146,126.128,117.120,107.112,84.93,56.65,45.49,36.38,25.25,8.8,185.191,(15.96,-36.31,;14.55,-36.89,;14.35,-38.43,;13.31,-35.94,;11.91,-36.52,;10.7,-35.59,;10.91,-34.05,;12.31,-33.47,;9.7,-33.12,;8.27,-33.71,;9.9,-31.58,;8.7,-30.65,;7.27,-31.24,;8.9,-29.11,;10.31,-28.52,;11.53,-29.46,;11.32,-30.99,;12.54,-31.92,;13.96,-31.34,;15.19,-32.27,;14.16,-29.8,;12.94,-28.87,;7.68,-28.17,;7.88,-26.65,;9.31,-26.06,;6.68,-25.71,;5.27,-26.36,;4.35,-24.96,;5.39,-23.65,;6.97,-24.22,;8.31,-23.47,;8.32,-21.93,;9.63,-24.25,;10.97,-23.49,;12.3,-24.27,;12.28,-25.81,;13.64,-23.52,;13.65,-21.98,;14.96,-24.3,;16.3,-23.54,;16.32,-22,;17.63,-24.32,;18.97,-23.57,;20.3,-24.35,;20.28,-25.89,;21.64,-23.59,;21.65,-22.05,;22.99,-21.29,;22.97,-24.37,;24.31,-23.62,;24.32,-22.08,;25.63,-24.4,;25.62,-25.94,;26.97,-23.64,;28.3,-24.42,;28.29,-25.96,;29.64,-23.67,;29.65,-22.13,;28.33,-21.34,;28.34,-19.8,;27.02,-19.02,;27.03,-17.48,;28.37,-16.72,;25.7,-16.7,;30.97,-24.45,;32.31,-23.69,;32.32,-22.15,;33.63,-24.47,;33.62,-26.01,;32.28,-26.77,;32.26,-28.31,;33.59,-29.09,;33.58,-30.63,;32.24,-31.39,;30.91,-30.61,;32.23,-32.93,;33.55,-33.73,;33.52,-35.28,;34.84,-36.07,;34.8,-37.62,;36.13,-38.43,;34.98,-23.72,;36.3,-24.5,;36.29,-26.04,;37.64,-23.74,;37.66,-22.2,;36.33,-21.42,;36.34,-19.88,;35.02,-19.1,;35.03,-17.56,;36.37,-16.8,;33.71,-16.77,;38.97,-24.52,;40.31,-23.77,;40.32,-22.23,;41.64,-24.55,;41.62,-26.09,;40.28,-26.85,;40.27,-28.39,;38.93,-29.14,;37.6,-28.36,;36.26,-29.12,;37.62,-26.82,;38.96,-26.07,;42.98,-23.79,;44.3,-24.57,;44.29,-26.11,;45.64,-23.82,;45.66,-22.28,;47,-21.52,;46.97,-24.6,;48.31,-23.84,;48.33,-22.3,;49.64,-24.62,;50.98,-23.87,;52.31,-24.65,;52.29,-26.19,;53.65,-23.89,;53.66,-22.35,;54.97,-24.67,;56.31,-23.92,;56.33,-22.38,;57.64,-24.7,;58.98,-23.94,;60.26,-24.8,;60.15,-26.34,;61.64,-24.13,;61.67,-22.58,;63.33,-22.36,;64.05,-23.87,;62.84,-25.04,;62.93,-26.57,;61.65,-27.42,;64.31,-27.26,;65.6,-26.41,;66.97,-27.1,;67.06,-28.64,;68.43,-29.33,;69.72,-28.48,;71.1,-29.17,;69.62,-26.94,;68.25,-26.25,;64.4,-28.8,;63.11,-29.65,;61.74,-28.96,;63.21,-31.18,;64.58,-31.87,;61.92,-32.03,;62.01,-33.57,;63.39,-34.26,;60.73,-34.42,;59.35,-33.73,;59.26,-32.19,;57.88,-31.5,;60.54,-31.34,;60.82,-35.95,;59.53,-36.8,;58.15,-36.11,;59.62,-38.34,;61,-39.03,;62.28,-38.18,;62.35,-36.64,;63.84,-36.24,;64.68,-37.52,;66.21,-37.75,;66.77,-39.18,;65.81,-40.39,;64.29,-40.16,;63.72,-38.72,;58.34,-39.19,;58.43,-40.72,;59.8,-41.41,;57.14,-41.57,;57.23,-43.11,;55.76,-40.88,;55.67,-39.34,;49.62,-26.16,;50.95,-26.95,;48.28,-26.92,;17.62,-25.86,;18.94,-26.65,;16.27,-26.62,;11.7,-38.06,;10.26,-38.66,;12.91,-38.99,;12.71,-40.54,;11.26,-41.13,;11.07,-42.64,;12.15,-43.7,;11.48,-45.09,;9.95,-44.88,;8.78,-45.87,;7.33,-45.34,;7.07,-43.83,;8.24,-42.84,;9.69,-43.36,;13.91,-41.46,;15.32,-40.88,;13.71,-43.01,;14.91,-43.94,;16.32,-43.35,;17.56,-44.3,;14.71,-45.48,;15.92,-46.41,;13.27,-46.08,)|
Structure:
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