Reaction Details Report a problem with these data
Target
Pteridine reductase 1
Ligand
BDBM50398390
Substrate
n/a
Meas. Tech.
ChEMBL_876348 (CHEMBL2185822)
Ki
78±n/a nM
Citation
 Corona, P; Gibellini, F; Cavalli, A; Saxena, P; Carta, A; Loriga, M; Luciani, R; Paglietti, G; Guerrieri, D; Nerini, E; Gupta, S; Hannaert, V; Michels, PA; Ferrari, S; Costi, PM Structure-based selectivity optimization of piperidine-pteridine derivatives as potent Leishmania pteridine reductase inhibitors. J Med Chem 55:8318-29 (2012) [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:
BDBM50398390
Synonyms:
CHEMBL2177120
Type:
Small organic molecule
Emp. Form.:
C23H28N8O3
Mol. Mass.:
464.5202
SMILES:
CCc1cc(ccc1NCc1cnc2nc(N)nc(N)c2n1)C(=O)N1CCC(CC1)C(=O)OC
Structure:
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