Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50291777
Substrate
n/a
Meas. Tech.
ChEMBL_52999 (CHEMBL664430)
Ki
7240±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
More Info.:
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:
BDBM50291777
Synonyms:
3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-benzamide | 3-(4,6-diamino-2,2-dimethyl-1,2-dihydro-1,3,5-triazin-1-yl)benzamide | CHEMBL20911
Type:
Small organic molecule
Emp. Form.:
C12H16N6O
Mol. Mass.:
260.295
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6|