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Target
Dihydrofolate reductase
Ligand
BDBM50082924
Substrate
n/a
Meas. Tech.
ChEMBL_52978 (CHEMBL664186)
IC50
1400±n/a nM
Citation
 Rosowsky, A; Cody, V; Galitsky, N; Fu, H; Papoulis, AT; Queener, SF Structure-based design of selective inhibitors of dihydrofolate reductase: synthesis and antiparasitic activity of 2, 4-diaminopteridine analogues with a bridged diarylamine side chain. J Med Chem 42:4853-60 (1999) [PubMed]
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:
BDBM50082924
Synonyms:
6-(10,11-Dihydro-dibenzo[b,f]azepin-5-ylmethyl)-pteridine-2,4-diamine | CHEMBL342086
Type:
Small organic molecule
Emp. Form.:
C21H19N7
Mol. Mass.:
369.4225
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc34)cnc2n1
Structure:
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