Reaction Details Report a problem with these data
Target
Subtilisin Carlsberg
Ligand
BDBM50453684
Substrate
n/a
Meas. Tech.
ChEMBL_1750313 (CHEMBL4185073)
IC50
93000±n/a nM
Citation
  TBA Bioorg Med Chem Lett 28:265-272 (2018) [PubMed]  Article 
Target
Name:
Subtilisin Carlsberg
Synonyms:
3.4.21.62 | SUBC_BACLI | Subtilisin | apr | subC
Type:
PROTEIN
Mol. Mass.:
38872.94
Organism:
Bacillus licheniformis
Description:
ChEMBL_206266
Residue:
379
Sequence:
MMRKKSFWLGMLTAFMLVFTMAFSDSASAAQPAKNVEKDYIVGFKSGVKTASVKKDIIKESGGKVDKQFRIINAAKAKLDKEALKEVKNDPDVAYVEEDHVAHALAQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASFVAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGSGSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYAKGVVVVAAAGNSGSSGNTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAPGAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLSSTATYLGSSFYYGKGLINVEAAAQ
  
Inhibitor
Name:
BDBM50453684
Synonyms:
CHEMBL4216644
Type:
Small organic molecule
Emp. Form.:
C34H54O4
Mol. Mass.:
526.7902
SMILES:
[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Structure:
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