Reaction Details Report a problem with these data
Target
Pteridine reductase 1
Ligand
BDBM50551183
Substrate
n/a
Meas. Tech.
ChEMBL_2030456 (CHEMBL4684614)
Ki
5700±n/a nM
Citation
 Linciano, P; Cullia, G; Borsari, C; Santucci, M; Ferrari, S; Witt, G; Gul, S; Kuzikov, M; Ellinger, B; Santarém, N; Cordeiro da Silva, A; Conti, P; Bolognesi, ML; Roberti, M; Prati, F; Bartoccini, F; Retini, M; Piersanti, G; Cavalli, A; Goldoni, L; Bertozzi, SM; Bertozzi, F; Brambilla, E; Rizzo, V; Piomelli, D; Pinto, A; Bandiera, T; Costi, MP Identification of a 2,4-diaminopyrimidine scaffold targeting Trypanosoma brucei pteridine reductase 1 from the LIBRA compound library screening campaign. Eur J Med Chem 189:0 (2020) [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:
BDBM50551183
Synonyms:
CHEMBL4747846
Type:
Small organic molecule
Emp. Form.:
C24H18O3
Mol. Mass.:
354.3979
SMILES:
Oc1ccc(cc1)-c1ccc(-c2cc(O)cc(O)c2)c(c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: