Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50016460
Substrate
n/a
Meas. Tech.
ChEMBL_55081 (CHEMBL663894)
IC50
30±n/a nM
Citation
Nair, MG; Nanavati, NT; Kumar, P; Gaumont, Y; Kisliuk, RL Synthesis and biological evaluation of poly-gamma-glutamyl metabolites of 10-deazaaminopterin and 10-ethyl-10-deazaaminopterin. J Med Chem 31:181-5 (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:
BDBM50016460
Synonyms:
(S)-2-{4-[1-(2,4-Diamino-pteridin-6-ylmethyl)-propyl]-benzoylamino}-pentanedioic acid | CHEMBL296373 | Edatrexate | GNF-Pf-63 | TCMDC-137768
Type:
Small organic molecule
Emp. Form.:
C22H25N7O5
Mol. Mass.:
467.4778
SMILES:
CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O