UCSF

ZINC04655377

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2005 23 No

Popular Name: 5-KETE 5-KETE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 106154-18-1 , 126432-17-5

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) 5.08 14.21 -52.31 0 3 -1 57 317.449 14 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links OXER1_HUMAN ChEBI
Reactome Database Links REACT_150143; REACT_15538; REACT_18371; REACT_22239; REACT_22289 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXER1-1-E Oxoeicosanoid Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.52 Binding ≤ 10μM
OXER1-1-E Oxoeicosanoid Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXER1_HUMAN Q8TDS5 Oxoeicosanoid Receptor 1, Human 3 0.52 Binding ≤ 1μM
OXER1_HUMAN Q8TDS5 Oxoeicosanoid Receptor 1, Human 3 0.52 Binding ≤ 10μM
OXER1_HUMAN Q8TDS5 Oxoeicosanoid Receptor 1, Human 7 0.50 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Eicosanoid ligand-binding receptors
G alpha (i) signalling events
Synthesis of 5-eicosatetraenoic acids

Reactome Annotations from Targets (via Uniprot)

Description Species
Eicosanoid ligand-binding receptors
G alpha (i) signalling events

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