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Target
Dihydrofolate reductase
Ligand
BDBM50030819
Substrate
n/a
Meas. Tech.
ChEMBL_54907 (CHEMBL664716)
IC50
100±n/a nM
Citation
 Gangjee, A; Devraj, R; McGuire, JJ; Kisliuk, RL Effect of bridge region variation on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 38:3798-805 (1995) [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:
BDBM50030819
Synonyms:
(S)-2-(4-(2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid | (S)-2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid | (S)-2-{4-[3-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-propyl]-benzoylamino}-pentanedioic acid | 2-{4-[2-(2,4-Diamino-furo[2,3-d]pyrimidin-5-yl)-ethyl]-benzoylamino}-pentanedioic acid | CHEMBL323565 | N-[4-[2-(2,4-diaminofuro[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid
Type:
Small organic molecule
Emp. Form.:
C20H21N5O6
Mol. Mass.:
427.4106
SMILES:
Nc1nc(N)c2c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1
Structure:
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