Reaction Details Report a problem with these data
Target
Transthyretin
Ligand
BDBM50108877
Substrate
n/a
Meas. Tech.
ChEMBL_2187568 (CHEMBL5099650)
Kd
34±n/a nM
Citation
 Pinheiro, F; Pallarès, I; Peccati, F; Sánchez-Morales, A; Varejão, N; Bezerra, F; Ortega-Alarcon, D; Gonzalez, D; Osorio, M; Navarro, S; Velázquez-Campoy, A; Almeida, MR; Reverter, D; Busqué, F; Alibés, R; Sodupe, M; Ventura, S Development of a Highly Potent Transthyretin Amyloidogenesis Inhibitor: Design, Synthesis, and Evaluation. J Med Chem 65:14673-14691 (2022) [PubMed] 
Target
Name:
Transthyretin
Synonyms:
ATTR | PALB | Prealbumin | TBPA | TTHY_HUMAN | TTR | Transthyretin (TTR)
Type:
Enzyme
Mol. Mass.:
15884.31
Organism:
Homo sapiens (Human)
Description:
P02766
Residue:
147
Sequence:
MASHRLLLLCLAGLVFVSEAGPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
  
Inhibitor
Name:
BDBM50108877
Synonyms:
(3,4-Dihydroxy-5-nitro-phenyl)-p-tolyl-methanone | (3,4-dihydroxy-5-nitrophenyl)(p-tolyl)methanone | CHEMBL1324 | Ro-40-7592 | TOLCAPONE | Talcapone | Tasmar
Type:
Small organic molecule
Emp. Form.:
C14H11NO5
Mol. Mass.:
273.2408
SMILES:
Cc1ccc(cc1)C(=O)c1cc(O)c(O)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: