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Target
Dihydrofolate reductase
Ligand
BDBM18050
Substrate
n/a
Meas. Tech.
ChEMBL_1624961 (CHEMBL3867373)
IC50
4.6±n/a nM
Citation
Welsch, ME; Zhou, J; Gao, Y; Yan, Y; Porter, G; Agnihotri, G; Li, Y; Lu, H; Chen, Z; Thomas, SB Discovery of Potent and Selective Leads against ACS Med Chem Lett 7:1124-1129 (2016) [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:
BDBM18050
Synonyms:
2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid | CHEMBL34259 | MTX | Methotrexate | cid_126941
Type:
Small organic molecule
Emp. Form.:
C20H22N8O5
Mol. Mass.:
454.4393
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|