Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50571699
Substrate
n/a
Meas. Tech.
ChEMBL_2115308 (CHEMBL4824249)
Ki
500±n/a nM
Citation
 Revuelto, A; de Lucio, H; García-Soriano, JC; Sánchez-Murcia, PA; Gago, F; Jiménez-Ruiz, A; Camarasa, MJ; Velázquez, S Efficient Dimerization Disruption of  J Med Chem 64:6137-6160 (2021) [PubMed]  Article 
Target
Name:
Trypanothione reductase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
53023.27
Organism:
Leishmania infantum
Description:
ChEMBL_801918
Residue:
491
Sequence:
MSRAYDLVVLGAGSGGLEAGWNAAVTHKKKVAVVDVQATHGPPLFAALGGTCVNVGCVPKKLMVTGAQYMDLIRESGGFGWEMDRESLCPNWKTLIAAKNKVVNSINESYKSMFADTEGLSFHMGFGALQDAHTVVVRKSEDPHSDVLETLDTEYILIATGSWPTRLGVPGDEFCITSNEAFYLEDAPKRMLCVGGGYIAVEFAGIFNGYKPCGGYVDLCYRGDLILRGFDTEVRKSLTKQLGANGIRVRTNLNPTKITKNEDGSNHVHFNDGTEEDYDQVMLAIGRVPRSQALQLDKAGVRTGKNGAVQVDAYSKTSVDNIYAIGDVTNRVMLTPVAINEGAAFVETVFGGKPRATDHTKVACAVFSIPPIGTCGMTEEEAAKNYETVAVYASSFTPLMHNISGSKHKEFMIRIITNESNGEVLGVHMLGDSAPEIIQSVGICMKMGAKISDFHSTIGVHPTSAEELCSMRTPAYFYESGKRVEKLSSNL
  
Inhibitor
Name:
BDBM50571699
Synonyms:
CHEMBL4855840
Type:
Small organic molecule
Emp. Form.:
C34H34F3N7O4S
Mol. Mass.:
693.738
SMILES:
OC(=O)C(F)(F)F.NCCCCc1cn(nn1)-c1ccc(-c2nc(c(s2)-c2ccccc2)-c2ccccc2)c(OCCN2CCNC2=O)c1
Structure:
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