WLL-vs - Moligand™ , Inhibitor of proteasome 20S subunit beta 5, CAS No.W614850, Inhibitor of proteasome 20S subunit beta 5

CAS: W614850 Cat. No.: W614850 PubChem CID: 118796903

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of proteasome 20S subunit beta 5

Names and Identifiers

• Canonical Smiles: CC(C[C@@H](C(=O)N[C@@H](CC(C)C)/C=C/S(=O)(=O)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCOCC1)C
• IUPAC Name: (2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-morpholin-4-ylacetyl)amino]propanoyl]amino]-4-methyl-N-[(E,3S)-5-methyl-1-methylsulfonylhex-1-en-3-yl]pentanamide
• InChIKey: DKBAFRHAWTVKAD-ODGLJRBPSA-N
• 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
• Isomeric SMILES: CC(C)C[C@@H](/C=C/S(=O)(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3CCOCC3
• PubChem CID: 118796903

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Not available
• Direct Parent: Peptides
• Alternative Parents: 3-alkylindoles Substituted pyrroles Morpholines Benzenoids Sulfones Heteroaromatic compounds Trialkylamines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha peptide - 3-alkylindole - Indole - Indole or derivatives - Morpholine - Oxazinane - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Carboximidic acid derivative - Carboximidic acid - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Dialkyl ether - Ether - Amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PSMB5 Tclin Proteasome subunit beta type-5 (0 Activities)

Discover Target: PSMB5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Mechanisms of Action