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Target
Pteridine reductase 1
Ligand
BDBM50303519
Substrate
n/a
Meas. Tech.
ChEMBL_596055 (CHEMBL1037349)
Ki
2700±n/a nM
Citation
 Tulloch, LB; Martini, VP; Iulek, J; Huggan, JK; Lee, JH; Gibson, CL; Smith, TK; Suckling, CJ; Hunter, WN Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases. J Med Chem 53:221-9 (2010) [PubMed]  Article 
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:
BDBM50303519
Synonyms:
6-[(4'-Methoxybenzyl)sulfanyl]-2,4-pyrimidinediamine | 6-[(4-methoxybenzyl)sulfanyl]pyrimidine-2,4-diamine | CHEMBL577502
Type:
Small organic molecule
Emp. Form.:
C12H14N4OS
Mol. Mass.:
262.331
SMILES:
COc1ccc(CSc2cc(N)nc(N)n2)cc1
Structure:
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