UCSF

ZINC14089740

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) -0.73 0.81 -74.29 5 10 0 153 461.467 3

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 170 0.29 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 4060 0.23 Binding ≤ 10μM
OPRM-4-E Mu-type Opioid Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 13 0.33 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.29 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 72 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 170 0.29 Binding ≤ 1μM
OPRD_PIG P79291 Delta Opioid Receptor, Pig 170 0.29 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 12.9 0.33 Binding ≤ 1μM
OPRD_PIG P79291 Delta Opioid Receptor, Pig 170 0.29 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 170 0.29 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 4060 0.23 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 4060 0.23 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 12.9 0.33 Binding ≤ 10μM
OPRD_PIG P79291 Delta Opioid Receptor, Pig 190 0.29 Functional ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 190 0.29 Functional ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 72.3 0.30 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 72.3 0.30 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% )