Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029766
Substrate
n/a
Meas. Tech.
ChEMBL_54750 (CHEMBL667808)
IC50
200±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF; Kisliuk, RL 6-substituted 2,4-diamino-5-methylpyrido[2,3-d]pyrimidines as inhibitors of dihydrofolate reductases from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. J Med Chem 38:1778-85 (1995) [PubMed]  Article 
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:
BDBM50029766
Synonyms:
2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE | 5-Methyl-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL50514
Type:
Small organic molecule
Emp. Form.:
C19H24N6O3
Mol. Mass.:
384.4323
SMILES:
COc1cc(cc(OC)c1OC)N(C)Cc1cnc2nc(N)nc(N)c2c1C
Structure:
Search PDB for entries with ligand similarity: