Reaction Details  Report a problem with these data
Target
Pteridine reductase 1
Ligand
BDBM50303515
Substrate
n/a
Meas. Tech.
ChEMBL_596055 (CHEMBL1037349)
Ki
>27000±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:
BDBM50303515
Synonyms:
2,4,6-triaminopyrimidin-1-ium | CHEMBL571518 | PYRIMIDINE-2,4,6-TRIAMINE
Type:
Small organic molecule
Emp. Form.:
C4H7N5
Mol. Mass.:
125.1319
SMILES:
Nc1cc(N)nc(N)n1
Structure:
Search PDB for entries with ligand similarity: