UCSF

ZINC13607514

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 Yes

Popular Name: Salvinorin A Salvinorin A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83729-01-5 , [83729-01-5]

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) 2.80 10.97 -15.84 0 8 0 109 432.469 5 ↓

Vendor Notes

Note Type Comments Provided By
therap k-opiod receptor agonist, psychotropic MicroSource Spectrum

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 5790 0.24 Binding ≤ 10μM
OPRK-3-E Kappa Opioid Receptor (cluster #3 Of 6), Eukaryotic Eukaryotes 1 0.41 Binding ≤ 10μM
OPRK-3-E Kappa Opioid Receptor (cluster #3 Of 6), Eukaryotic Eukaryotes 8 0.37 Binding ≤ 10μM
OPRM-4-E Mu-type Opioid Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 4370 0.24 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.37 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.37 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 77 0.32 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 46 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.3 0.40 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.75 0.41 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 3990 0.24 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.3 0.40 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.75 0.41 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 2860 0.25 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.3 0.40 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 46 0.33 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

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