UCSF

ZINC22066510

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) 4.47 12.75 -39.86 1 5 1 37 450.647 9
Mid Mid (pH 6-8) 4.47 12.21 -40.12 1 5 1 37 450.647 9
Mid Mid (pH 6-8) 4.47 10.57 -8.83 0 5 0 36 449.639 9

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 760 0.26 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8760 0.21 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6066 0.22 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 166 0.29 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 5457 0.22 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.23 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 5457 0.22 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 3 0.36 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.2 0.38 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.06 0.38 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 0.8 0.39 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 629 0.26 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 317 0.28 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.2 0.38 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.06 0.38 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 0.8 0.39 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 3535 0.23 Binding ≤ 10μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 1348 0.25 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 2480 0.24 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1300 0.25 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1300 0.25 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 1300 0.25 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 5457 0.22 Functional ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 166 0.29 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 2.7 0.36 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 5457 0.22 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 5450 0.22 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 2.73 0.36 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.24 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% )