Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50030820
Substrate
n/a
Meas. Tech.
ChEMBL_54905 (CHEMBL664714)
IC50
560±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 43:3125-33 (2000) [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:
BDBM50030820
Synonyms:
(S)-2-(4-((2,4-diaminofuro[2,3-d]pyrimidin-5-yl)methylamino)benzamido)pentanedioic acid | (S)-2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL106628
Type:
Small organic molecule
Emp. Form.:
C19H20N6O6
Mol. Mass.:
428.3987
SMILES:
Nc1nc(N)c2c(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1
Structure:
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