Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50035274
Substrate
n/a
Meas. Tech.
ChEMBL_52836 (CHEMBL884360)
IC50
307000±n/a nM
Citation
 Gangjee, A; Mavandadi, F; Queener, SF; McGuire, JJ Novel 2,4-diamino-5-substituted-pyrrolo[2,3-d]pyrimidines as classical and nonclassical antifolate inhibitors of dihydrofolate reductases. J Med Chem 38:2158-65 (1995) [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:
BDBM50035274
Synonyms:
5-(Naphthalen-1-ylaminomethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | CHEMBL276734
Type:
Small organic molecule
Emp. Form.:
C17H16N6
Mol. Mass.:
304.3491
SMILES:
Nc1nc(N)c2c(CNc3cccc4ccccc34)c[nH]c2n1
Structure:
Search PDB for entries with ligand similarity: