Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50016325
Substrate
n/a
Meas. Tech.
ChEMBL_52831 (CHEMBL665037)
IC50
0.000530±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:
BDBM50016325
Synonyms:
2-{4-[(2,4-Diamino-pyrido[2,3-d]pyrimidin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | CHEMBL275309
Type:
Small organic molecule
Emp. Form.:
C20H21N7O5
Mol. Mass.:
439.4246
SMILES:
Nc1nc(N)c2cc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Structure:
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