CHEBI:91210 - WLL-vs

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name WLL-vs
ChEBI ID CHEBI:91210
Definition A dipeptide that is L-tryptophyl-L-leucinamide in which the N-terminal amino group has been converted to the corresponding (morpholin-4-yl)acetamide and in which one of the hydrogens attached to the nitrogen of the C-terminal amide has been replaced by a (1E)-5-methyl-1-(methylsulfonyl)hex-1-en-3-yl group. It is a selective proteasome inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C31H47N5O6S
Net Charge 0
Average Mass 617.802
Monoisotopic Mass 617.325
InChI InChI=1S/C31H47N5O6S/c1-21(2)16-24(10-15-43(5,40)41)33-30(38)27(17-22(3)4)35-31(39)28(34-29(37)20-36-11-13-42-14-12-36)18-23-19-32-26-9-7-6-8-25(23)26/h6-10,15,19,21-22,24,27-28,32H,11-14,16-18,20H2,1-5H3,(H,33,38)(H,34,37)(H,35,39)/b15-10+/t24-,27+,28+/m1/s1
InChIKey DKBAFRHAWTVKAD-ODGLJRBPSA-N
SMILES C(\[C@H](CC(C)C)NC([C@H](CC(C)C)NC([C@H](CC=1C2=CC=CC=C2NC1)NC(=O)CN3CCOCC3)=O)=O)=C/S(C)(=O)=O
Roles Classification
Biological Role(s): antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Application(s): proteasome inhibitor
A drug that blocks the action of proteasomes, cellular complexes that break down proteins.
antimalarial
A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing WLL-vs (CHEBI:91210) has functional parent Trp-Leu (CHEBI:74871)
WLL-vs (CHEBI:91210) has role antimalarial (CHEBI:38068)
WLL-vs (CHEBI:91210) has role proteasome inhibitor (CHEBI:52726)
WLL-vs (CHEBI:91210) is a dipeptide (CHEBI:46761)
WLL-vs (CHEBI:91210) is a indoles (CHEBI:24828)
WLL-vs (CHEBI:91210) is a morpholines (CHEBI:38785)
WLL-vs (CHEBI:91210) is a sulfone (CHEBI:35850)
IUPAC Name
N-(morpholin-4-ylacetyl)-L-tryptophyl-N-[(1E,3S)-5-methyl-1-(methylsulfonyl)hex-1-en-3-yl]-L-leucinamide
Citation Waiting for Citations Type Source
26863983 PubMed citation Europe PMC
Last Modified
19 February 2016