Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50082924
Substrate
n/a
Meas. Tech.
ChEMBL_379668 (CHEMBL866112)
IC50
210±n/a nM
Citation
 Popov, VM; Chan, DC; Fillingham, YA; Atom Yee, W; Wright, DL; Anderson, AC Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative. Bioorg Med Chem Lett 16:4366-70 (2006) [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:
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:
Search PDB for entries with ligand similarity: