In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 45 | No |
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) | 1.64 | 2.5 | -108.23 | 11 | 11 | 2 | 200 | 622.811 | 15 | ↓ |
Hi High (pH 8-9.5) | 1.64 | 1.94 | -27.35 | 9 | 11 | 0 | 196 | 620.795 | 15 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 2.18 | -67.86 | 10 | 11 | 1 | 198 | 621.803 | 15 | ↓ |
Mid Mid (pH 6-8) | 1.64 | 2.25 | -60.91 | 10 | 11 | 1 | 198 | 621.803 | 15 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 19 | 0.24 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.26 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 18.8 | 0.24 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.31 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 18.8 | 0.24 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.1 | 0.31 | Binding ≤ 10μM |
OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 4.93 | 0.26 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |