Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50171512
Substrate
n/a
Meas. Tech.
ChEMBL_305870 (CHEMBL831914)
pH
7.4±n/a
IC50
10000±n/a nM
Comments
extracted
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Synthesis of classical, four-carbon bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates. J Med Chem 48:5329-36 (2005) [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:
BDBM50171512
Synonyms:
(S)-2-{4-[4-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-butyl]-benzoylamino}-pentanedioic acid | CHEMBL193275
Type:
Small organic molecule
Emp. Form.:
C22H25N5O6
Mol. Mass.:
455.4638
SMILES:
Nc1nc(N)c2c(CCCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1
Structure:
Search PDB for entries with ligand similarity: