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Target
Ephrin type-A receptor 2
Ligand
BDBM50234948
Substrate
n/a
Meas. Tech.
ChEMBL_1654287 (CHEMBL4003653)
IC50
794±n/a nM
Citation
 Incerti, M; Russo, S; Callegari, D; Pala, D; Giorgio, C; Zanotti, I; Barocelli, E; Vicini, P; Vacondio, F; Rivara, S; Castelli, R; Tognolini, M; Lodola, A Metadynamics for Perspective Drug Design: Computationally Driven Synthesis of New Protein-Protein Interaction Inhibitors Targeting the EphA2 Receptor. J Med Chem 60:787-796 (2017) [PubMed]  Article 
Target
Name:
Ephrin type-A receptor 2
Synonyms:
2.7.10.1 | EPHA2_MOUSE | Eck | Epha2 | Ephrin type-A receptor 2 | Epithelial cell kinase | Myk2 | Sek2 | Tyrosine-protein kinase receptor ECK | Tyrosine-protein kinase receptor MPK-5 | Tyrosine-protein kinase receptor SEK-2
Type:
PROTEIN
Mol. Mass.:
108847.01
Organism:
Mus musculus
Description:
ChEMBL_117464
Residue:
977
Sequence:
MELRAVGFCLALLWGCALAAAAAQGKEVVLLDFAAMKGELGWLTHPYGKGWDLMQNIMDDMPIYMYSVCNVVSGDQDNWLRTNWVYREEAERIFIELKFTVRDCNSFPGGASSCKETFNLYYAESDVDYGTNFQKRQFTKIDTIAPDEITVSSDFEARNVKLNVEERMVGPLTRKGFYLAFQDIGACVALLSVRVYYKKCPEMLQSLARFPETIAVAVSDTQPLATVAGTCVDHAVVPYGGEGPLMHCTVDGEWLVPIGQCLCQEGYEKVEDACRACSPGFFKSEASESPCLECPEHTLPSTEGATSCQCEEGYFRAPEDPLSMSCTRPPSAPNYLTAIGMGAKVELRWTAPKDTGGRQDIVYSVTCEQCWPESGECGPCEASVRYSEPPHALTRTSVTVSDLEPHMNYTFAVEARNGVSGLVTSRSFRTASVSINQTEPPKVRLEDRSTTSLSVTWSIPVSQQSRVWKYEVTYRKKGDANSYNVRRTEGFSVTLDDLAPDTTYLVQVQALTQEGQGAGSKVHEFQTLSTEGSANMAVIGGVAVGVVLLLVLAGVGLFIHRRRRNLRARQSSEDVRFSKSEQLKPLKTYVDPHTYEDPNQAVLKFTTEIHPSCVARQKVIGAGEFGEVYKGTLKASSGKKEIPVAIKTLKAGYTEKQRVDFLSEASIMGQFSHHNIIRLEGVVSKYKPMMIITEYMENGALDKFLREKDGEFSVLQLVGMLRGIASGMKYLANMNYVHRDLAARNILVNSNLVCKVSDFGLSRVLEDDPEATYTTSGGKIPIRWTAPEAISYRKFTSASDVWSYGIVMWEVMTYGERPYWELSNHEVMKAINDGFRLPTPMDCPSAIYQLMMQCWQQERSRRPKFADIVSILDKLIRAPDSLKTLADFDPRVSIRLPSTSGSEGVPFRTVSEWLESIKMQQYTEHFMVAGYTAIEKVVQMSNEDIKRIGVRLPGHQKRIAYSLLGLKDQVNTVGIPI
  
Inhibitor
Name:
BDBM50234948
Synonyms:
CHEMBL4078429
Type:
Small organic molecule
Emp. Form.:
C37H53N3O5
Mol. Mass.:
619.8338
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(N)=O)[C@H](C)CCC(=O)N[C@H](CC(O)=O)Cc1c[nH]c2ccccc12 |r|
Structure:
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