Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50291768
Substrate
n/a
Meas. Tech.
ChEMBL_52999 (CHEMBL664430)
Ki
3.8±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:
Bacterial dihydrofolate reductase | DYR_ECOLI | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | folA | tmrA
Type:
Enzyme
Mol. Mass.:
17991.61
Organism:
Escherichia coli
Description:
E. coli DHFR was expressed in BL21, and purified to homogeneity.
Residue:
159
Sequence:
MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESIGRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGGGRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQNSHSYCFEILERR
  
Inhibitor
Name:
BDBM50291768
Synonyms:
6,6-Dimethyl-1-(3-phenylselanylmethyl-phenyl)-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20224
Type:
Small organic molecule
Emp. Form.:
C18H21N5Se
Mol. Mass.:
386.35
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(C[Se]c2ccccc2)c1 |t:3,6|
Structure:
Search PDB for entries with ligand similarity: