CHEMBL4576969
human-PREP Ki 9 nM
General
Type : Pyrrolidine, Boron compound
Chemical_Nomenclature : (2-methylsulfanylphenyl)-[(2R)-2-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]pyrrolidin-1-yl]methanone
Canonical SMILES : B1(OC2CC3CC(C3(C)C)C2(O1)C)C4CCCN4C(=O)C5=CC=CC=C5SC
InChI : InChI=1S\/C22H30BNO3S\/c1-21(2)14-12-17(21)22(3)18(13-14)26-23(27-22)19-10-7-11-24(19)20(25)15-8-5-6-9-16(15)28-4\/h5-6,8-9,14,17-19H,7,10-13H2,1-4H3\/t14-,17-,18+,19-,22-\/m0\/s1
InChIKey : PNOOCQHRLPMAPV-FQDUKEJRSA-N
Other name(s) : BDBM50504801, PD169420, Compound 12h
MW : 399.4
Formula : C22H30BNO3S
CAS_number :
PubChem : 155553875
UniChem : PNOOCQHRLPMAPV-FQDUKEJRSA-N
Target
Families : CHEMBL4576969 ligand of proteins in family
S9N_PPCE_Peptidase_S9
Protein :
human-PREP
References (1)
| Title : Discovery of covalent prolyl oligopeptidase boronic ester inhibitors - Plescia_2020_Eur.J.Med.Chem_185_111783 |
| Author(s) : Plescia J , Dufresne C , Janmamode N , Wahba AS , Mittermaier AK , Moitessier N |
| Ref : Eur Journal of Medicinal Chemistry , 185 :111783 , 2020 |
| PubMedID: 31732257 |
| Gene_locus related to this paper: human-PREP |