In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 47 | 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) | 0.81 | 12.52 | -80.72 | 6 | 10 | 0 | 167 | 634.733 | 12 | ↓ |
Mid Mid (pH 6-8) | 0.81 | 12.22 | -60.62 | 5 | 10 | -1 | 165 | 633.725 | 12 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.24 | Binding ≤ 10μM |
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7 | 0.24 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4000 | 0.16 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.15 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.48 | 0.28 | Binding ≤ 1μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 1.22 | 0.27 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 0.48 | 0.28 | Binding ≤ 10μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 1.22 | 0.27 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 10000 | 0.15 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |