Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18506
Substrate
n/a
Meas. Tech.
ChEMBL_54763 (CHEMBL667986)
IC50
12±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:
BDBM18506
Synonyms:
6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylmethyl}pteridine-2,4-diamine | CHEMBL301769 | Pteridine compound, 17
Type:
Small organic molecule
Emp. Form.:
C21H17N7
Mol. Mass.:
367.4066
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1 |c:17|
Structure:
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