Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50024475
Substrate
n/a
Meas. Tech.
ChEBML_54604
Ki
>1000±n/a nM
Citation
DeGraw, JI; Christie, PH; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Synthesis and antifolate properties of 10-alkyl-5,10-dideaza analogues of methotrexate and tetrahydrofolic acid. J Med Chem 33:673-7 (1990) [PubMed] Article
More Info.:
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_MOUSE | Dhfr
Type:
Enzyme
Mol. Mass.:
21608.82
Organism:
Mus musculus (Mouse)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
Inhibitor
Name:
BDBM50024475
Synonyms:
2-{4-[(2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | 2-{4-[(2-Amino-4-oxo-3,4,5,6,7,8-hexahydro-quinazolin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid (H4-DDF) | CHEMBL279508
Type:
Small organic molecule
Emp. Form.:
C21H25N5O6
Mol. Mass.:
443.4531
SMILES:
Nc1nc2CCC(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)Cc2c(=O)[nH]1