Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50051912
Substrate
n/a
Meas. Tech.
ChEMBL_53300 (CHEMBL663138)
IC50
86±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF; Kisliuk, RL 2,4-diamino-5-deaza-6-substituted pyrido[2,3-d]pyrimidine antifolates as potent and selective nonclassical inhibitors of dihydrofolate reductases. J Med Chem 39:1438-46 (1996) [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:
BDBM50051912
Synonyms:
CHEMBL32266 | N*6*-(3,5-Dimethoxy-benzyl)-pyrido[2,3-d]pyrimidine-2,4,6-triamine
Type:
Small organic molecule
Emp. Form.:
C16H18N6O2
Mol. Mass.:
326.3531
SMILES:
COc1cc(CNc2cnc3nc(N)nc(N)c3c2)cc(OC)c1
Structure:
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