Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50029768
Substrate
n/a
Meas. Tech.
ChEMBL_52981 (CHEMBL876710)
IC50
190±n/a nM
Citation
 Queener, SF New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. J Med Chem 38:4739-59 (1996) [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:
BDBM50029768
Synonyms:
2-({4-[(6,8-Diamino-quinoxalin-2-ylmethyl)-methyl-amino]-naphthalene-1-carbonyl}-amino)-pentanedioic acid | CHEMBL145579
Type:
Small organic molecule
Emp. Form.:
C26H26N6O5
Mol. Mass.:
502.5218
SMILES:
CN(Cc1cnc2cc(N)cc(N)c2n1)c1ccc(C(=O)NC(CCC(O)=O)C(O)=O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: