Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50011320
Substrate
n/a
Meas. Tech.
ChEBML_54445
IC50
52±n/a nM
Citation
Rosowsky, A; Bader, H; Freisheim, JH Synthesis and biological activity of methotrexate analogues with two acid groups and a hydrophobic aromatic ring in the side chain. J Med Chem 34:574-9 (1991) [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:
BDBM50011320
Synonyms:
CHEMBL18155 | N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid | N-(4-Carboxy-4-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyl)-phthalamic acid(PT523)
Type:
Small organic molecule
Emp. Form.:
C27H27N9O6
Mol. Mass.:
573.56
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1