In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2011 | 25 | 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) | 1.74 | 6.55 | -67.09 | 2 | 5 | 1 | 60 | 342.415 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.74 | 4.46 | -15 | 1 | 5 | 0 | 59 | 341.407 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 36 | 0.42 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 34 | 0.42 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 63 | 0.40 | Functional ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 18 | 0.43 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 36 | 0.42 | Binding ≤ 1μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 33.8 | 0.42 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.61 | 0.52 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 36 | 0.42 | Binding ≤ 10μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 33.8 | 0.42 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 0.61 | 0.52 | Binding ≤ 10μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 63 | 0.40 | Functional ≤ 10μM |
OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 17.6 | 0.43 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |
No pre-computed analogs available. Try a structural similarity search.