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Target
Dihydrofolate reductase
Ligand
BDBM50158535
Substrate
n/a
Meas. Tech.
ChEMBL_430597 (CHEMBL918699)
IC50
>21000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Mehraein, F; Kisliuk, RL Synthesis of classical, three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates. J Med Chem 47:6893-901 (2004) [PubMed]  Article 
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:
BDBM50158535
Synonyms:
CHEMBL374172 | N-{4-[3-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)propyl]benzoyl}-L-glutamic acid
Type:
Small organic molecule
Emp. Form.:
C21H23N5O6
Mol. Mass.:
441.4372
SMILES:
Nc1nc2[nH]cc(CCCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1 |r|
Structure:
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