UCSF

ZINC00967952

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 24 Yes

Popular Name: azocine azocine

Find On: PubMed — Wikipedia — Google

CAS Number: 1239-04-9

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) 4.72 0.75 -42.02 2 2 1 24 322.472 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 5 0.48 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8 0.47 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.47 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 82 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 5 0.48 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 121 0.40 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 8 0.47 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.2 0.57 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 26 0.44 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 5 0.48 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 121 0.40 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 8 0.47 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.2 0.57 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 26 0.44 Binding ≤ 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% )