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Target
MHC class II antigen
Ligand
BDBM50464580
Substrate
n/a
Meas. Tech.
ChEMBL_1781528 (CHEMBL4253045)
IC50
13±n/a nM
Citation
 Tapeinou, A; Giannopoulou, E; Simal, C; Hansen, BE; Kalofonos, H; Apostolopoulos, V; Vlamis-Gardikas, A; Tselios, T Design, synthesis and evaluation of an anthraquinone derivative conjugated to myelin basic protein immunodominant (MBP Eur J Med Chem 143:621-631 (2018) [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:
BDBM50464580
Synonyms:
CHEMBL4277461
Type:
Small organic molecule
Emp. Form.:
C76H124N22O21
Mol. Mass.:
1681.9326
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
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