Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50028604
Substrate
n/a
Meas. Tech.
ChEBML_54897
IC50
12±n/a nM
Citation
 Piper, JR; McCaleb, GS; Montgomery, JA; Kisliuk, RL; Gaumont, Y; Sirotnak, FM 10-Propargylaminopterin and alkyl homologues of methotrexate as inhibitors of folate metabolism. J Med Chem 25:877-80 (1982) [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:
BDBM50028604
Synonyms:
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-octyl-amino]-benzoylamino}-pentanedioic acid | CHEMBL171757
Type:
Small organic molecule
Emp. Form.:
C27H36N8O5
Mol. Mass.:
552.6253
SMILES:
CCCCCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
Search PDB for entries with ligand similarity: