Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50291787
Substrate
n/a
Meas. Tech.
ChEMBL_53000 (CHEMBL858265)
Ki
16.98±n/a nM
Citation
 Marlowe, CK; Selassie, CD; Santi, DV Quantitative structure-activity relationships of the inhibition of Pneumocystis carinii dihydrofolate reductase by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(X-phenyl)-s-triazines. J Med Chem 38:967-72 (1995) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
23891.29
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRDL
  
Inhibitor
Name:
BDBM50291787
Synonyms:
6,6-Dimethyl-1-[3-(4-pentyl-phenoxymethyl)-phenyl]-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20922 | xv6,6-Dimethyl-1-[3-(4-pentyl-phenoxymethyl)-phenyl]-1,6-dihydro-[13,5]triazine-2,4-diamine
Type:
Small organic molecule
Emp. Form.:
C23H31N5O
Mol. Mass.:
393.5251
SMILES:
CCCCCc1ccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)cc1 |c:20,23|
Structure:
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