Reaction Details Report a problem with these data
Target
Rhizopuspepsin
Ligand
BDBM50108796
Substrate
n/a
Meas. Tech.
ChEMBL_153842 (CHEMBL757027)
IC50
2000±n/a nM
Citation
 Bursavich, MG; Rich, DH Designing non-peptide peptidomimetics in the 21st century: inhibitors targeting conformational ensembles. J Med Chem 45:541-58 (2002) [PubMed]  Article 
Target
Name:
Rhizopuspepsin
Synonyms:
CARP_RHICH | Rhizopuspepsin
Type:
PROTEIN
Mol. Mass.:
41326.43
Organism:
Rhizopus microsporus var. chinensis
Description:
ChEMBL_100244
Residue:
393
Sequence:
MKFTLISSCIAIAALAVAVDAAPGEKKISIPLAKNPNYKPSAKNAIQKAIAKYNKHKINTSTGGIVPDAGVGTVPMTDYGNDVEYYGQVTIGTPGKKFNLDFDTGSSDLWIASTLCTNCGSRQTKYDPKQSSTYQADGRTWSISYGDGSSASGILAKDNVNLGGLLIKGQTIELAKREAASFANGPNDGLLGLGFDTITTVRGVKTPMDNLISQGLISRPIFGVYLGKASNGGGGEYIFGGYDSTKFKGSLTTVPIDNSRGWWGITVDRATVGTSTVASSFDGILDTGTTLLILPNNVAASVARAYGASDNGDGTYTISCDTSRFKPLVFSINGASFQVSPDSLVFEEYQGQCIAGFGYGNFDFAIIGDTFLKNNYVVFNQGVPEVQIAPVAQ
  
Inhibitor
Name:
BDBM50108796
Synonyms:
2-{4-[3-(4-Bromo-benzyloxy)-piperidin-4-yl]-phenoxy}-1-naphthalen-2-yl-ethanone | CHEMBL152902
Type:
Small organic molecule
Emp. Form.:
C30H28BrNO3
Mol. Mass.:
530.452
SMILES:
Brc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2)cc1
Structure:
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