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Target
Dihydrofolate reductase
Ligand
BDBM50120978
Substrate
n/a
Meas. Tech.
ChEMBL_52841 (CHEMBL665045)
IC50
5000±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Synthesis of classical and nonclassical, partially restricted, linear, tricyclic 5-deaza antifolates. J Med Chem 45:5173-81 (2002) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_PNECA | Dihydrofolate Reductase (DHFR) | Dihydrofolate reductase | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
23891.29
Organism:
Pneumocystis carinii
Description:
n/a
Residue:
206
Sequence:
MNQQKSLTLIVALTTSYGIGRSNSLPWKLKKEISYFKRVTSFVPTFDSFESMNVVLMGRKTWESIPLQFRPLKGRINVVITRNESLDLGNGIHSAKSLDHALELLYRTYGSESSVQINRIFVIGGAQLYKAAMDHPKLDRIMATIIYKDIHCDVFFPLKFRDKEWSSVWKKEKHSDLESWVGTKVPHGKINEDGFDYEFEMWTRDL
  
Inhibitor
Name:
BDBM50120978
Synonyms:
6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-1,3,6,9-tetraaza-anthracene-2,4-diamine | CHEMBL439816
Type:
Small organic molecule
Emp. Form.:
C17H16Cl2N6
Mol. Mass.:
375.255
SMILES:
Nc1nc(N)c2cc3CN(Cc4ccc(Cl)c(Cl)c4)CCc3nc2n1
Structure:
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