Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50043394
Substrate
n/a
Meas. Tech.
ChEMBL_52838 (CHEMBL665043)
IC50
0.000190±n/a nM
Citation
 Piper, JR; Johnson, CA; Maddry, JA; Malik, ND; McGuire, JJ; Otter, GM; Sirotnak, FM Studies on analogues of classical antifolates bearing the naphthoyl group in place of benzoyl in the side chain. J Med Chem 36:4161-71 (1994) [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:
BDBM50043394
Synonyms:
2-({4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-naphthalene-1-carbonyl}-amino)-pentanedioic acid | CHEMBL132431
Type:
Small organic molecule
Emp. Form.:
C24H24N8O5
Mol. Mass.:
504.498
SMILES:
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12
Structure:
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