Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50030818
Substrate
n/a
Meas. Tech.
ChEMBL_52866 (CHEMBL666225)
IC50
10000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Effect of C9-methyl substitution and C8-C9 conformational restriction on antifolate and antitumor activity of classical 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines. J Med Chem 43:3125-33 (2000) [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:
BDBM50030818
Synonyms:
(S)-2-(4-{[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-methyl}-benzoylamino)-pentanedioic acid | 2-(4-{[(2,4-Diamino-furo[2,3-d]pyrimidin-5-ylmethyl)-amino]-methyl}-benzoylamino)-pentanedioic acid | CHEMBL106699
Type:
Small organic molecule
Emp. Form.:
C20H22N6O6
Mol. Mass.:
442.4253
SMILES:
Nc1nc(N)c2c(CNCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)coc2n1
Structure:
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