UCSF

ZINC26843314

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 19 Yes

Popular Name: 2-(azepane-1-carbonyl)-4-isopropyl-3-methyl-isoxazol-5-one 2-(azepane-1-carbonyl)-4-isoprop…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 9.45 -7.77 0 5 0 55 266.341 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LIPS-1-E Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic Eukaryotes 62 0.53 Binding ≤ 10μM
LIPS-1-E Hormone Sensitive Lipase (cluster #1 Of 1), Eukaryotic Eukaryotes 215 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LIPS_HUMAN Q05469 Hormone Sensitive Lipase, Human 62 0.53 Binding ≤ 1μM
LIPS_RAT P15304 Hormone-sensitive Lipase, Rat 62 0.53 Binding ≤ 1μM
LIPS_HUMAN Q05469 Hormone Sensitive Lipase, Human 62 0.53 Binding ≤ 10μM
LIPS_RAT P15304 Hormone-sensitive Lipase, Rat 62 0.53 Binding ≤ 10μM
LIPS_HUMAN Q05469 Hormone Sensitive Lipase, Human 215 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.