Reaction Details Report a problem with these data
Target
Transthyretin
Ligand
BDBM50249584
Substrate
n/a
Meas. Tech.
ChEBML_1680100
Kd
2000±n/a nM
Citation
 Gimeno, A; Santos, LM; Alemi, M; Rivas, J; Blasi, D; Cotrina, EY; Llop, J; Valencia, G; Cardoso, I; Quintana, J; Arsequell, G; Jiménez-Barbero, J Insights on the Interaction between Transthyretin and A? in Solution. A Saturation Transfer Difference (STD) NMR Analysis of the Role of Iododiflunisal. J Med Chem 60:5749-5758 (2017) [PubMed]  Article 
Target
Name:
Transthyretin
Synonyms:
ATTR | PALB | Prealbumin | TBPA | TTHY_HUMAN | TTR | Transthyretin (TTR)
Type:
Enzyme
Mol. Mass.:
15884.31
Organism:
Human
Description:
P02766
Residue:
147
Sequence:
MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
  
Inhibitor
Name:
BDBM50249584
Synonyms:
CHEMBL4074607
Type:
Small organic molecule
Emp. Form.:
C89H135N25O25
Mol. Mass.:
1955.1767
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Structure:
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