In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 6th, 2009 | 28 | Yes |
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) | 3.00 | 6.36 | -46.69 | 5 | 5 | 1 | 86 | 385.528 | 10 | ↓ |
Hi High (pH 8-9.5) | 3.00 | 6.18 | -13.42 | 4 | 5 | 0 | 85 | 384.52 | 10 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 21 | 0.38 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1300 | 0.29 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.45 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 21 | 0.38 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.5 | 0.47 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 21 | 0.38 | Binding ≤ 10μM |
OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 1300 | 0.29 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.5 | 0.47 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |