UCSF

ZINC02517042

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 26 Yes

Popular Name: U69593 U69593

Find On: PubMed — Wikipedia — Google

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) 2.99 11.09 -40.07 1 4 1 34 357.518 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 5844 0.28 Binding ≤ 10μM
OPRK-4-E Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic Eukaryotes 80 0.38 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 692 0.33 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1099 0.32 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 64 0.39 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 2 0.47 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 28 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 139 0.37 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.3 0.51 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 0.7 0.49 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.63 0.50 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 140 0.37 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 1.18 0.48 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 139 0.37 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1358 0.32 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 0.7 0.49 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.63 0.50 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.3 0.51 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1145 0.32 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 7250 0.28 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 140 0.37 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 1.18 0.48 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 1099 0.32 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 2.2 0.47 Functional ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 2.25 0.47 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 28 0.41 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% )