In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 25 | 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) | 0.44 | 2.56 | -66.98 | 4 | 6 | 1 | 83 | 345.419 | 1 | ↓ |
Hi High (pH 8-9.5) | 0.44 | 0.83 | -18.09 | 3 | 6 | 0 | 82 | 344.411 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 480 | 0.35 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 6400 | 0.29 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 180 | 0.38 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 67 | 0.40 | Functional ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 67 | 0.40 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 480 | 0.35 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 180 | 0.38 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 480 | 0.35 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 6400 | 0.29 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 180 | 0.38 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 66.8 | 0.40 | Functional ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 66.8 | 0.40 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |