Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50022388
Substrate
n/a
Meas. Tech.
ChEBML_54903
IC50
12000±n/a nM
Citation
DeGraw, JI; Colwell, WT; Brown, VH; Sato, M; Kisliuk, RL; Gaumont, Y; Thorndike, J; Sirotnak, FM Synthesis and biological evaluation of 8-deazahomofolic acid and its tetrahydro derivative. J Med Chem 31:150-3 (1988) [PubMed] Article
More Info.:
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_LACCA | dhfR | folA
Type:
PROTEIN
Mol. Mass.:
18437.08
Organism:
Lactobacillus casei
Description:
ChEMBL_1357878
Residue:
163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
Inhibitor
Name:
BDBM50022388
Synonyms:
2-{4-[(2-Amino-4-hydroxy-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4-dihydro-pyrido[3,2-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL36623
Type:
Small organic molecule
Emp. Form.:
C20H20N6O6
Mol. Mass.:
440.4094
SMILES:
Nc1nc2ccc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)nc2c(=O)[nH]1