Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50145794
Substrate
n/a
Meas. Tech.
ChEMBL_54755 (CHEMBL667813)
IC50
0.75±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:
BDBM50145794
Synonyms:
4-[5-(2,4-Diamino-pteridin-6-ylmethyl)-5H-dibenzo[b,f]azepin-2-yloxymethyl]-benzoic acid | CHEMBL79464
Type:
Small organic molecule
Emp. Form.:
C29H23N7O3
Mol. Mass.:
517.538
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(OCc5ccc(cc5)C(O)=O)ccc34)cnc2n1 |c:17|
Structure:
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