IC50 Porcine pancreatic lipase microM 0.748 +/- 0.042 Competitive
Type : Natural
Chemical_Nomenclature : (2S,6S,10S,15S,20S,23R)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
Canonical SMILES : C[C@H]1CCC2[C@@](C3CCC4[C@@H]5CC(=O)C6C[C@H](CC[C@@]6(C5CC4[C@@H]3CN2C1)C)O)(C)O
InChI : InChI=1S\/C27H43NO3\/c1-15-4-7-25-27(3,31)21-6-5-17-18(20(21)14-28(25)13-15)11-22-19(17)12-24(30)23-10-16(29)8-9-26(22,23)2\/h15-23,25,29,31H,4-14H2,1-3H3\/t15-,16-,17?,18?,19-,20-,21?,22?,23?,25?,26+,27-\/m0\/s1
InChIKey : IQDIERHFZVCNRZ-GAJVHJNZSA-N
Other name(s) : PEI || Fritillarine || RefChem:928708 || 3beta, 20-dihydroxy-5alpha-cevan-6-one || (1R,2S,6S,9S,10S,11S,14S,15S,18S,20S,23R,24S)-10,20-dihydroxy-6,10,23-trimethyl-4-azahexacyclo(12.11.0.02,11.04,9.015,24.018,23)pentacosan-17-one
Families : Peiminine ligand of proteins in family
Pancreatic_lipase
Protein :
human-PNLIP
| Title : Identification of Potential Pancreatic Lipase Inhibitors from Traditional Chinese Medicines via Molecular Docking, Molecular Dynamics Simulation and In Vitro Validation - Zhang_2026_Curr.Issues.Mol.Biol_48_404 |
| Author(s) : Zhang Z , Long J , Li T , Xu N , Xu Z , Wang Y , Chu M , Zhang M |
| Ref : Curr Issues Mol Biol , 48 :404 , 2026 |
| Abstract : |
| PubMedSearch : Zhang_2026_Curr.Issues.Mol.Biol_48_404 |
| PubMedID: 42042064 |