In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 33 | 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) | 4.59 | 9.8 | -135.94 | 5 | 5 | 2 | 66 | 443.591 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.59 | 6.51 | -7.41 | 3 | 5 | 0 | 61 | 441.575 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 8.81 | -45.85 | 4 | 5 | 1 | 62 | 442.583 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.59 | 7.94 | -42.53 | 4 | 5 | 1 | 65 | 442.583 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1 | 0.38 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 57 | 0.31 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 90 | 0.30 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.77 | 0.39 | Binding ≤ 1μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 57.3 | 0.31 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 90.3 | 0.30 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.77 | 0.39 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 57.3 | 0.31 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 90.3 | 0.30 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |