Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHLA class I histocompatibility antigen, A alpha chain
LigandBDBM50409409
Substrate/Competitorn/a
Meas. Tech.ChEMBL_47858 (CHEMBL660105)
IC50 22.7±n/a nM
Citation Doytchinova, IAFlower, 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 Chem44:3572-81 (2001) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
HLA class I histocompatibility antigen, A alpha chain
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:
MAVMAPRTLLLLLSGALALTQTWAGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRF
DSDAASQRMEPRAPWIEQEGPEYWDQETRNVKAQSQTDRVDLGTLRGYYNQSEAGSHTIQ
IMYGCDVGSDGRFLRGYRQDAYDGKDYIALNEDLRSWTAADMAAQITKRKWEAAHEAEQL
RAYLDGTCVEWLRRYLENGKETLQRTDPPKTHMTHHPISDHEATLRCWALGFYPAEITLT
WQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGEEQRYTCHVQHEGLPKPLTLRWEL
SSQPTIPIVGIIAGLVLLGAVITGAVVAAVMWRRKSSDRKGGSYTQAASSDSAQGSDVSL
TACKV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50409409
n/a
NameBDBM50409409
Synonyms:CHEMBL266418
TypeSmall organic molecule
Emp. Form.C48H85N15O13
Mol. Mass.1080.2812
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: