Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50041177
Substrate
n/a
Meas. Tech.
ChEMBL_55130 (CHEMBL665456)
IC50
25600±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:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
Inhibitor
Name:
BDBM50041177
Synonyms:
5-((3,4,5-trichlorophenylamino)methyl)furo[2,3-d]pyrimidine-2,4-diamine | 5-[(3,4,5-Trichloro-phenylamino)-methyl]-furo[2,3-d]pyrimidine-2,4-diamine | CHEMBL17235
Type:
Small organic molecule
Emp. Form.:
C13H10Cl3N5O
Mol. Mass.:
358.61
SMILES:
Nc1nc(N)c2c(CNc3cc(Cl)c(Cl)c(Cl)c3)coc2n1