Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50145797
Substrate
n/a
Meas. Tech.
ChEMBL_54623 (CHEMBL668845)
IC50
0.19±n/a nM
Citation
 Rosowsky, A; Fu, H; Chan, DC; Queener, SF Synthesis of 2,4-diamino-6-[2'-O-(omega-carboxyalkyl)oxydibenz[b,f]azepin-5-yl]methylpteridines as potent and selective inhibitors of Pneumocystis carinii, Toxoplasma gondii, and Mycobacterium avium dihydrofolate reductase. J Med Chem 47:2475-85 (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:
BDBM50145797
Synonyms:
6-[(3,5-Dipropoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL310836
Type:
Small organic molecule
Emp. Form.:
C21H28N6O2
Mol. Mass.:
396.486
SMILES:
CCCOc1cc(NCc2cnc3nc(N)nc(N)c3c2C)cc(OCCC)c1
Structure:
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