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Target
Pteridine reductase, putative
Ligand
BDBM50600691
Substrate
n/a
Meas. Tech.
ChEMBL_2234681 (CHEMBL5148453)
IC50
30±n/a nM
Citation
 Pöhner, I; Quotadamo, A; Panecka-Hofman, J; Luciani, R; Santucci, M; Linciano, P; Landi, G; Di Pisa, F; Dello Iacono, L; Pozzi, C; Mangani, S; Gul, S; Witt, G; Ellinger, B; Kuzikov, M; Santarem, N; Cordeiro-da-Silva, A; Costi, MP; Venturelli, A; Wade, RC Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J Med Chem 65:9011-9033 (2022) [PubMed] 
Target
Name:
Pteridine reductase, putative
Synonyms:
1.5.1.33 | Tb08.26N11.790
Type:
PROTEIN
Mol. Mass.:
40300.57
Organism:
Trypanosoma brucei brucei (strain 927/4 GUTat10.1)
Description:
ChEMBL_101127
Residue:
369
Sequence:
MYCTEYKFPCFRHTHTIKLVLLHLRECNGVHPPQFYRRMYEWVGSVVIFSPTIIFAPIHDPYLEGGEKWRINNIVQGASISVAVKKKRKSPTYPLFRVKGVMEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTPLVQGDHEDNSNGKTVETQVAELIGTNAIAPFLLTMSFAQRQKGTNPNCTSSNLSIVNLCDAMVDQPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
  
Inhibitor
Name:
BDBM50600691
Synonyms:
CHEMBL5205559
Type:
Small organic molecule
Emp. Form.:
C24H30N8O3
Mol. Mass.:
478.5468
SMILES:
CCCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Structure:
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