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Target
Pteridine reductase 1
Ligand
BDBM50600696
Substrate
n/a
Meas. Tech.
ChEMBL_2234682 (CHEMBL5148454)
IC50
1570±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 1
Synonyms:
HMTXR | PTR1 | PTR1_LEIMA
Type:
PROTEIN
Mol. Mass.:
30459.34
Organism:
Leishmania major
Description:
ChEMBL_1470027
Residue:
288
Sequence:
MTAPTVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNARRPNSAITVQADLSNVATAPVSGADGSAPVTLFTRCAELVAACYTHWGRCDVLVNNASSFYPTPLLRNDEDGHEPCVGDREAMETATADLFGSNAIAPYFLIKAFAHRFAGTPAKHRGTNYSIINMVDAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPLQIRVNGVGPGLSVLVDDMPPAVWEGHRSKVPLYQRDSSAAEVSDVVIFLCSSKAKYITGTCVKVDGGYSLTRA
  
Inhibitor
Name:
BDBM50600696
Synonyms:
CHEMBL5173732
Type:
Small organic molecule
Emp. Form.:
C24H26N8O3
Mol. Mass.:
474.515
SMILES:
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1OC
Structure:
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