Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50562445
Substrate
n/a
Meas. Tech.
ChEMBL_2078715 (CHEMBL4734506)
IC50
10.0±n/a nM
Citation
 Bibi, M; Qureshi, NA; Sadiq, A; Farooq, U; Hassan, A; Shaheen, N; Asghar, I; Umer, D; Ullah, A; Khan, FA; Salman, M; Bibi, A; Rashid, U Exploring the ability of dihydropyrimidine-5-carboxamide and 5-benzyl-2,4-diaminopyrimidine-based analogues for the selective inhibition of L. major dihydrofolate reductase. Eur J Med Chem 210:0 (2021) [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:
BDBM50562445
Synonyms:
CHEMBL4748139
Type:
Small organic molecule
Emp. Form.:
C27H32N6O8
Mol. Mass.:
568.5784
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCNc1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Structure:
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