Reaction Details Report a problem with these data
Target
Ephrin type-A receptor 2
Ligand
BDBM50538238
Substrate
n/a
Meas. Tech.
ChEMBL_1972489 (CHEMBL4605307)
Ki
2.8±n/a nM
Citation
 Mudd, GE; Brown, A; Chen, L; van Rietschoten, K; Watcham, S; Teufel, DP; Pavan, S; Lani, R; Huxley, P; Bennett, GS Identification and Optimization of EphA2-Selective Bicycles for the Delivery of Cytotoxic Payloads. J Med Chem 63:4107-4116 (2020) [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:
BDBM50538238
Synonyms:
CHEMBL4642849
Type:
Small organic molecule
Emp. Form.:
C147H205N37O35S3
Mol. Mass.:
3146.623
SMILES:
CC(C)[C@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN(C)C(=O)CN(C)C(=O)CN(C)C(=O)CN(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)C(=O)CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CSCc2cc3CSC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](CSCc(c3)c2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(C)(C)NC(=O)CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)C(C)(C)NC1=O)C(C)(C)C)C(N)=O |r|
Structure:
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