Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50291804
Substrate
n/a
Meas. Tech.
ChEMBL_54289 (CHEMBL666808)
Ki
42.66±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:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50291804
Synonyms:
1-(3-Benzylsulfanyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL20975
Type:
Small organic molecule
Emp. Form.:
C18H21N5S
Mol. Mass.:
339.458
SMILES:
CC1(C)N=C(N)N=C(N)N1c1cccc(SCc2ccccc2)c1 |t:3,6|
Structure:
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