Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50428223
Substrate
n/a
Meas. Tech.
ChEMBL_946427 (CHEMBL2339607)
IC50
310±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:
BDBM50428223
Synonyms:
CHEMBL2337010
Type:
Small organic molecule
Emp. Form.:
C142H205N35O35
Mol. Mass.:
2962.3606
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)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:179.187,157.167,120.124,102.114,74.90,51.62,41.43,13.22,4.4,206.215,wD:165.183,152.158,140.154,133.136,124.128,114.120,91.101,63.73,45.49,36.38,25.25,8.8,192.199,(15.77,-41.25,;14.37,-41.83,;14.16,-43.37,;13.13,-40.88,;11.73,-41.46,;10.52,-40.53,;10.73,-38.99,;12.13,-38.4,;9.52,-38.06,;8.09,-38.65,;9.72,-36.51,;8.51,-35.59,;7.08,-36.18,;8.72,-34.05,;10.13,-33.46,;11.36,-34.41,;11.14,-35.95,;12.35,-36.9,;13.77,-36.32,;15,-37.26,;13.99,-34.8,;12.78,-33.85,;7.5,-33.11,;7.7,-31.59,;9.13,-30.99,;6.49,-30.65,;5.09,-31.3,;4.17,-29.9,;5.21,-28.59,;6.79,-29.16,;8.12,-28.41,;8.13,-26.87,;9.45,-29.19,;10.79,-28.43,;12.11,-29.21,;12.1,-30.75,;13.46,-28.46,;13.47,-26.92,;14.78,-29.24,;16.12,-28.48,;16.14,-26.94,;17.45,-29.26,;18.79,-28.51,;20.12,-29.29,;20.1,-30.83,;21.46,-28.53,;21.47,-26.99,;22.81,-26.23,;22.78,-29.31,;24.12,-28.56,;24.14,-27.02,;25.45,-29.34,;25.44,-30.88,;24.1,-31.64,;24.08,-33.17,;22.74,-33.93,;21.42,-33.15,;20.08,-33.91,;21.43,-31.61,;22.77,-30.85,;26.79,-28.58,;28.12,-29.36,;28.1,-30.9,;29.46,-28.61,;29.47,-27.07,;28.15,-26.28,;28.16,-24.74,;26.84,-23.96,;26.85,-22.42,;28.19,-21.66,;25.52,-21.64,;30.79,-29.39,;32.13,-28.63,;32.14,-27.09,;33.45,-29.41,;33.44,-30.95,;32.1,-31.71,;32.08,-33.25,;33.41,-34.03,;33.39,-35.57,;32.05,-36.33,;30.73,-35.55,;32.05,-37.86,;33.37,-38.67,;33.34,-40.22,;34.66,-41.01,;34.62,-42.56,;35.95,-43.37,;34.79,-28.66,;36.12,-29.44,;36.11,-30.98,;37.46,-28.68,;37.48,-27.14,;36.15,-26.36,;36.16,-24.82,;34.84,-24.04,;34.85,-22.5,;36.19,-21.74,;33.52,-21.71,;38.79,-29.46,;40.13,-28.71,;40.14,-27.17,;41.45,-29.49,;41.44,-31.03,;40.1,-31.79,;40.08,-33.32,;38.75,-34.08,;37.42,-33.3,;36.08,-34.06,;37.43,-31.76,;38.77,-31,;42.8,-28.73,;44.12,-29.51,;44.11,-31.05,;45.46,-28.76,;45.48,-27.22,;46.82,-26.46,;46.79,-29.54,;48.13,-28.78,;48.14,-27.24,;49.46,-29.56,;50.8,-28.81,;52.12,-29.59,;52.11,-31.13,;53.47,-28.83,;53.48,-27.29,;54.79,-29.61,;56.13,-28.86,;56.15,-27.32,;57.46,-29.64,;58.8,-28.88,;60.08,-29.74,;59.97,-31.28,;61.46,-29.07,;61.49,-27.51,;63.15,-27.29,;63.87,-28.81,;62.66,-29.97,;62.75,-31.51,;61.47,-32.36,;64.13,-32.2,;65.41,-31.35,;66.79,-32.04,;66.88,-33.58,;68.26,-34.27,;69.54,-33.42,;70.92,-34.11,;69.45,-31.89,;68.08,-31.2,;64.22,-33.74,;62.93,-34.59,;61.56,-33.9,;63.02,-36.12,;64.4,-36.81,;61.74,-36.97,;61.83,-38.51,;63.21,-39.2,;60.54,-39.36,;59.17,-38.67,;59.08,-37.13,;57.7,-36.44,;60.36,-36.28,;60.63,-40.89,;59.35,-41.74,;57.97,-41.05,;59.44,-43.28,;60.82,-43.97,;62.1,-43.12,;62.17,-41.58,;63.66,-41.17,;64.5,-42.46,;66.02,-42.69,;66.59,-44.12,;65.63,-45.33,;64.1,-45.09,;63.54,-43.66,;58.15,-44.13,;58.25,-45.66,;59.62,-46.35,;56.96,-46.51,;57.05,-48.05,;55.58,-45.82,;55.49,-44.28,;49.44,-31.1,;50.77,-31.89,;48.1,-31.86,;17.43,-30.8,;18.76,-31.59,;16.09,-31.56,;11.52,-43,;10.08,-43.6,;12.73,-43.93,;12.52,-45.48,;11.08,-46.07,;10.88,-47.58,;11.97,-48.64,;11.3,-50.03,;9.77,-49.81,;8.6,-50.81,;7.15,-50.28,;6.89,-48.77,;8.06,-47.77,;9.5,-48.3,;13.73,-46.4,;15.14,-45.82,;13.53,-47.95,;14.73,-48.87,;16.14,-48.29,;17.37,-49.24,;14.53,-50.42,;15.73,-51.35,;13.09,-51.02,)|
Structure:
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