Target
Pteridine reductase 1
Ligand
BDBM50398394
Substrate
n/a
Meas. Tech.
ChEMBL_876348 (CHEMBL2185822)
Ki
37±n/a nM
Citation
 Corona, PGibellini, FCavalli, ASaxena, PCarta, ALoriga, MLuciani, RPaglietti, GGuerrieri, DNerini, EGupta, SHannaert, VMichels, PAFerrari, SCosti, 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:
BDBM50398394
Synonyms:
CHEMBL1232702
Type:
Small organic molecule
Emp. Form.:
C22H26N8O3
Mol. Mass.:
450.4936
SMILES:
COC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1
Structure:
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