Reaction Details Report a problem with these data
Target
MHC class II antigen
Ligand
BDBM50326697
Substrate
n/a
Meas. Tech.
ChEMBL_661466 (CHEMBL1252964)
IC50
0.6±n/a nM
Citation
 Venkatraman, P; Nguyen, TT; Sainlos, M; Bilsel, O; Chitta, S; Imperiali, B; Stern, LJ Fluorogenic probes for monitoring peptide binding to class II MHC proteins in living cells. Nat Chem Biol 3:222-8 (2007) [PubMed]  Article 
Target
Name:
MHC class II antigen
Synonyms:
DR-1 | DR1 | HLA class II histocompatibility antigen DRB1-1 | HLA class II histocompatibility antigen, DRB1-1 beta chain | Human leukocyte antigen DR beta chain | MHC class I antigen DRB1*1
Type:
PROTEIN
Mol. Mass.:
29917.79
Organism:
Homo sapiens (Human)
Description:
ChEMBL_192854
Residue:
266
Sequence:
MVCLKLPGGSCMTALTVTLMVLSSPLALAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRARSESAQSKMLSGVGGFVLGLLFLGAGLFIYFRNQKGHSGLQPTGFLS
  
Inhibitor
Name:
BDBM50326697
Synonyms:
(3S,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S)-18-(2-amino-2-oxoethyl)-1-((S)-1-((S)-2-amino-3-(5-(dimethylamino)-1,3-dioxoisoindolin-2-yl)propanoyl)pyrrolidin-2-yl)-15-(3-amino-3-oxopropyl)-3,12,27-tris(4-aminobutyl)-6-(4-hydroxybenzyl)-21,36-bis((R)-1-hydroxyethyl)-24,30-diisobutyl-9-isopropyl-33-methyl-1,4,7,10,13,16,19,22,25,28,31,34-dodecaoxo-2,5,8,11,14,17,20,23,26,29,32,35-dodecaazaheptatriacontan-37-oic acid | CHEMBL1253324
Type:
Small organic molecule
Emp. Form.:
C82H131N21O22
Mol. Mass.:
1763.045
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CN1C(=O)c2ccc(cc2C1=O)N(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: