Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50260742
Substrate
n/a
Meas. Tech.
ChEBML_1694634
IC50
31±n/a nM
Citation
 Thakkar, SS; Thakor, P; Ray, A; Doshi, H; Thakkar, VR Benzothiazole analogues: Synthesis, characterization, MO calculations with PM6 and DFT, in silico studies and in vitro antimalarial as DHFR inhibitors and antimicrobial activities. Bioorg Med Chem 25:5396-5406 (2017) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_BOVIN | Dihydrofolate reductase | Dihydrofolate reductase (DHFR)
Type:
Enzyme
Mol. Mass.:
21603.71
Organism:
Bos taurus (Cattle)
Description:
P00376
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFQYFQRMTTVSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPKGAHFLAKSLDDALELIEDPELTNKVDVVWIVGGSSVYKEAMNKPGHVRLFVTRIMQEFESDAFFPEIDFEKYKLLPEYPGVPLDVQEEKGIKYKFEVYEKNN
  
Inhibitor
Name:
BDBM50260742
Synonyms:
CHEMBL4076589
Type:
Small organic molecule
Emp. Form.:
C14H9N3O2S
Mol. Mass.:
283.305
SMILES:
[O-][N+](=O)c1cccc(\C=N\c2nc3ccccc3s2)c1
Structure:
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