In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 34 | Yes |
None
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) | 4.90 | 11.97 | -134.87 | 4 | 5 | 2 | 55 | 457.618 | 5 | ↓ |
Hi High (pH 8-9.5) | 4.90 | 8.68 | -7.75 | 2 | 5 | 0 | 50 | 455.602 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.90 | 10.98 | -45.25 | 3 | 5 | 1 | 51 | 456.61 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.90 | 10.1 | -42.18 | 3 | 5 | 1 | 54 | 456.61 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 27 | 0.31 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2679 | 0.23 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 671 | 0.25 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 27.4 | 0.31 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 671.2 | 0.25 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 27.4 | 0.31 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2679 | 0.23 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 671.2 | 0.25 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |