UCSF

ZINC04546379

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 23 Yes

Popular Name: 15R-HETE 15R-HETE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73836-87-0 , 84807-87-4

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) 5.26 10.86 -47 1 3 -1 60 319.465 14 ↓

Vendor Notes

Note Type Comments Provided By
Reactome Database Links REACT_150272; REACT_150372 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic Eukaryotes 7300 0.31 Binding ≤ 10μM
LOX5-2-E Arachidonate 5-lipoxygenase (cluster #2 Of 6), Eukaryotic Eukaryotes 7300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LOX5_RAT P12527 Arachidonate 5-lipoxygenase, Rat 7300 0.31 Binding ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Synthesis of 15-eicosatetraenoic acid derivatives
Synthesis of Lipoxins (LX)

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