Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405041
Substrate
n/a
Meas. Tech.
ChEMBL_53616 (CHEMBL661845)
Ki
26±n/a nM
Citation
 Hansch, C; Hathaway, BA; Guo, ZR; Selassie, CD; Dietrich, SW; Blaney, JM; Langridge, R; Volz, KW; Kaufman, 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 Chem 27:129-43 (1984) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
1.5.1.3 | DHFR | DYR_CHICK
Type:
n/a
Mol. Mass.:
21652.69
Organism:
Gallus gallus (Chicken)
Description:
n/a
Residue:
189
Sequence:
VRSLNSIVAVCQNMGIGKDGNLPWPPLRNEYKYFQRMTSTSHVEGKQNAVIMGKKTWFSIPEKNRPLKDRINIVLSRELKEAPKGAHYLSKSLDDALALLDSPELKSKVDMVWIVGGTAVYKAAMEKPINHRLFVTRILHEFESDTFFPEIDYKDFKLLTEYPGVPADIQEEDGIQYKFEVYQKSVLAQ
  
Inhibitor
Name:
BDBM50405041
Synonyms:
CHEMBL33633
Type:
Small organic molecule
Emp. Form.:
C18H20ClN5S
Mol. Mass.:
373.903
SMILES:
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)c(CSc2ccccc2)c1 |t:3,6|
Structure:
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