Reaction Details Report a problem with these data
Target
Serine protease SplB
Ligand
BDBM50395597
Substrate
n/a
Meas. Tech.
ChEMBL_859707 (CHEMBL2169142)
Ki
>200000±n/a nM
Citation
 Ewa, B; Maciej, W; Marcin, S; Grzegorz, D; Michal, Z; Jan, P; Józef, O The development of first Staphylococcus aureus SplB protease inhibitors: phosphonic analogues of glutamine. Bioorg Med Chem Lett 22:5574-8 (2012) [PubMed]  Article 
Target
Name:
Serine protease SplB
Synonyms:
SPLB_STAAU | splB
Type:
PROTEIN
Mol. Mass.:
26147.73
Organism:
Staphylococcus aureus
Description:
ChEMBL_859707
Residue:
240
Sequence:
MNKNVVIKSLATLTILTSVTGIGTTLVEEVQQTAKAENNVTKIQDTNIFPYTGVVAFKSATGFVVGKNTILTNKHVSKNYKVGDRITAHPNSDKGNGGIYSIKKIINYPGKEDVSVIQVEERAIERGPKGFNFNDNVTPFKYAAGAKAGERIKVIGYPHPYKNKYVLYESTGPVMSVEGSSIVYSAHTESGNSGSPVLNSNNELVGIHFASDVKNDDNRNAYGVYFTPEIKKFIAENIDK
  
Inhibitor
Name:
BDBM50395597
Synonyms:
CHEMBL2165307
Type:
Small organic molecule
Emp. Form.:
C38H52N3O7P
Mol. Mass.:
693.8091
SMILES:
CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(N)=O)P(=O)(Oc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: