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Target
HLA class I histocompatibility antigen, A alpha chain
Ligand
BDBM50409319
Substrate
n/a
Meas. Tech.
ChEMBL_47858 (CHEMBL660105)
IC50
17.22±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:
BDBM50409319
Synonyms:
CHEMBL265220
Type:
Small organic molecule
Emp. Form.:
C51H73N11O17
Mol. Mass.:
1112.1888
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(N)=O)C(O)=O
Structure:
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