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Target
HLA class I histocompatibility antigen, A alpha chain
Ligand
BDBM50409318
Substrate
n/a
Meas. Tech.
ChEMBL_47858 (CHEMBL660105)
IC50
11.99±n/a nM
Citation
 Doytchinova, IA; Flower, DR Toward the quantitative prediction of T-cell epitopes: coMFA and coMSIA studies of peptides with affinity for the class I MHC molecule HLA-A*0201. J Med Chem 44:3572-81 (2001) [PubMed]  Article 
Target
Name:
HLA class I histocompatibility antigen, A alpha chain
Synonyms:
HLA class I histocompatibility antigen A-3 | HLA class I histocompatibility antigen, A-3 alpha chain | HLA-A | HLAA | HLAA_HUMAN | MHC class I antigen A*3
Type:
PROTEIN
Mol. Mass.:
40836.72
Organism:
Homo sapiens (Human)
Description:
ChEMBL_47858
Residue:
365
Sequence:
MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQIMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQLRAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWELSSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASSDSAQGSDVSLTACKV
  
Inhibitor
Name:
BDBM50409318
Synonyms:
CHEMBL406562
Type:
Small organic molecule
Emp. Form.:
C57H75N11O12S2
Mol. Mass.:
1170.402
SMILES:
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(O)=O
Structure:
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