Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50031866
Substrate
n/a
Meas. Tech.
ChEMBL_55116 (CHEMBL884367)
IC50
67±n/a nM
Citation
 Gangjee, A; Zhu, Y; Queener, SF; Francom, P; Broom, AD Nonclassical 2,4-diamino-8-deazafolate analogues as inhibitors of dihydrofolate reductases from rat liver, Pneumocystis carinii, and Toxoplasma gondii. J Med Chem 39:1836-45 (1996) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_RAT | Dhfr | Dihydrofolate reductase (DHFR) | Dihydrofolate reductase; P. carinii vs rat | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21638.84
Organism:
Rattus norvegicus (rat)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPLLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPQGAHFLAKSLDDALKLIEQPELASKVDMVWVVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLEKYKLLPEYPGVLSEIQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50031866
Synonyms:
6-(((3-chlorophenyl)(methyl)amino)methyl)pyrido[3,2-d]pyrimidine-2,4-diamine | 6-{[(3-Chloro-phenyl)-methyl-amino]-methyl}-pyrido[3,2-d]pyrimidine-2,4-diamine | CHEMBL54399
Type:
Small organic molecule
Emp. Form.:
C15H15ClN6
Mol. Mass.:
314.773
SMILES:
CN(Cc1ccc2nc(N)nc(N)c2n1)c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: