UCSF

ZINC05561287

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 30 Yes

Popular Name: 6,14-Endoetheno-4,5-alpha-epoxy-7-(2-hydroxy-2-pentyl)-6-methoxy-7-methylmorphinan-3-ol; 6,14-Endoetheno-7-(2-hydroxy-2-pentyl)tetrahydro-oripavine; LS-91957; Morphinan-3-ol, 6,14-endoetheno-4,5-alpha-epoxy-7-(2-hydroxy-2-pentyl)-6-methoxy-17-methyl- 6,14-Endoetheno-4,5-alpha-epoxy-…

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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) 3.71 -0.79 -56.34 3 5 1 63 412.55 4 ↓

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 2 0.41 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 3 0.40 Binding ≤ 10μM
OPRM-4-E Mu-type Opioid Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 2 0.41 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 1 0.42 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.3 0.41 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.27 0.45 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 2.9 0.40 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.5 0.43 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.18 0.45 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.48 0.43 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.14 0.46 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.35 0.44 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.3 0.41 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.27 0.45 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 2.9 0.40 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.5 0.43 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.18 0.45 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.48 0.43 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.14 0.46 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.35 0.44 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.3 0.44 Functional ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.3 0.44 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.3 0.44 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% )