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Target
Trypanothione reductase
Ligand
BDBM50015214
Substrate
n/a
Meas. Tech.
ChEMBL_2230477 (CHEMBL5144249)
IC50
13530±n/a nM
Citation
 de Lucio, H; García-Marín, J; Sánchez-Alonso, P; García-Soriano, JC; Toro, MÁ; Vaquero, JJ; Gago, F; Alajarín, R; Jiménez-Ruiz, A Pyridazino-pyrrolo-quinoxalinium salts as highly potent and selective leishmanicidal agents targeting trypanothione reductase. Eur J Med Chem 227:0 (2022) [PubMed] 
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:
BDBM50015214
Synonyms:
6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-methylbutyl)amine | 6-chloro-N-(5-(diethylamino)pentan-2-yl)-2-methoxyacridin-9-amine | CHEMBL7568 | N'-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine | N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine | N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine (Mepacrine) | N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine ; (mepacrine) | N-(4-Hydroxy-phenyl)-acetamide | cid_237 | quinacrine
Type:
Small organic molecule
Emp. Form.:
C23H30ClN3O
Mol. Mass.:
399.957
SMILES:
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
Structure:
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