UCSF

ZINC04102215

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) 3.55 -1.67 -55.89 3 5 1 63 426.577 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0144243A1; EP0290482A1; EP0290482B1; EP0346830A2; EP0346830B1; EP0429039B1; EP0442769A2; EP0442769A3; EP0471525B1; EP0496830A1; EP0496830B1; EP0531415B1; EP0643768A1; EP0656007A1; EP0808165A1; EP0871488A1; EP0912577A2; EP1005336A1; EP1053238A1; US426718 IBM Patent Data

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 0 0.00 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 2 0.39 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 4 0.38 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.41 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 1 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.68 0.41 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.22 0.44 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.28 0.43 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.45 Binding ≤ 1μM
OPRM_BOVIN P79350 Mu Opioid Receptor, Bovin 1.4 0.40 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.27 0.43 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.22 0.44 Binding ≤ 1μM
OPRX_RAT P35370 Nociceptin Receptor, Rat 0.22 0.44 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.22 0.44 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.68 0.41 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.22 0.44 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.28 0.43 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.45 Binding ≤ 10μM
OPRM_BOVIN P79350 Mu Opioid Receptor, Bovin 1.4 0.40 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.27 0.43 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.22 0.44 Binding ≤ 10μM
OPRX_RAT P35370 Nociceptin Receptor, Rat 0.22 0.44 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.22 0.44 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 1 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% )