In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 44 | No |
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) | 2.08 | 1.72 | -57.74 | 10 | 12 | 1 | 207 | 611.764 | 18 | ↓ |
Mid Mid (pH 6-8) | 2.08 | 1.39 | -19.68 | 9 | 12 | 0 | 206 | 610.756 | 18 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 10 | 0.25 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4 | 0.27 | Binding ≤ 10μM |
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.24 | Functional ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 25 | 0.24 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 4.35 | 0.27 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 2.27 | 0.28 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 4.35 | 0.27 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 2.27 | 0.28 | Binding ≤ 10μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 25.2 | 0.24 | Functional ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 24.6 | 0.24 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |