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Target
Dihydrofolate reductase
Ligand
BDBM50128532
Substrate
n/a
Meas. Tech.
ChEMBL_53146 (CHEMBL665866)
IC50
73.0±n/a nM
Citation
 Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem 46:2304-12 (2003) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_STAAW | folA
Type:
PROTEIN
Mol. Mass.:
18232.79
Organism:
Staphylococcus aureus (strain MW2)
Description:
ChEMBL_53146
Residue:
159
Sequence:
MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
  
Inhibitor
Name:
BDBM50128532
Synonyms:
5-(7-Chloro-10-methylsulfanyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL74592
Type:
Small organic molecule
Emp. Form.:
C17H19ClN6S
Mol. Mass.:
374.891
SMILES:
CSc1c2CN(Cc3cnc(N)nc3N)CCn2c2cc(Cl)ccc12
Structure:
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