Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50041178
Substrate
n/a
Meas. Tech.
ChEMBL_54129 (CHEMBL668084)
IC50
>15000±n/a nM
Citation
Gangjee, A; Devraj, R; McGuire, JJ; Kisliuk, RL; Queener, SF; Barrows, LR Classical and nonclassical furo[2,3-d]pyrimidines as novel antifolates: synthesis and biological activities. J Med Chem 37:1169-76 (1994) [PubMed] Article
More Info.:
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
Inhibitor
Name:
BDBM50041178
Synonyms:
5-((3,4-dichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(3,4-Dichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL274278
Type:
Small organic molecule
Emp. Form.:
C13H11Cl2N5O
Mol. Mass.:
324.165
SMILES:
Nc1nc(N)c2c(CNc3ccc(Cl)c(Cl)c3)coc2n1