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Reaction Details
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TargetDihydrofolate reductase
LigandBDBM50291805
Substrate/Competitorn/a
Meas. Tech.ChEBML_55071
Ki 1349±n/a nM
Citation Hansch, CHathaway, BAGuo, ZRSelassie, CDDietrich, SWBlaney, JMLangridge, RVolz, KWKaufman, BT Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s. J Med Chem27:129-43 (1984) [PubMed]
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Dihydrofolate reductase
Name:Dihydrofolate reductase
Synonyms:DYR_LACCA | dhfR | folA
Type:PROTEIN
Mol. Mass.:18437.08
Organism:Lactobacillus casei
Description:ChEMBL_1357878
Residue:163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTN
VVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLA
GSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
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BDBM50291805
n/a
NameBDBM50291805
Synonyms:6,6-Dimethyl-1-{3-[4-(3-trifluoromethyl-phenoxy)-butoxy]-phenyl}-1,6-dihydro-[1,3,5]triazine-2,4-diamine | CHEMBL6671
TypeSmall organic molecule
Emp. Form.C22H26F3N5O2
Mol. Mass.449.4693
SMILESCC1(C)N=C(N)N=C(N)N1c1cccc(OCCCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6|
Structure
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