In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 33 | 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) | 4.18 | 9.04 | -109.2 | 5 | 5 | 2 | 65 | 449.639 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.5 | -7.34 | 3 | 5 | 0 | 59 | 447.623 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 7.83 | -42.96 | 4 | 5 | 1 | 60 | 448.631 | 12 | ↓ |
Hi High (pH 8-9.5) | 4.18 | 8.95 | -53.2 | 4 | 5 | 1 | 64 | 448.631 | 12 | ↓ |
Mid Mid (pH 6-8) | 4.18 | 8.87 | -119.19 | 5 | 5 | 2 | 61 | 449.639 | 12 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8260 | 0.22 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2358 | 0.24 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 38 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 38 | 0.31 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 8260 | 0.22 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2358 | 0.24 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 38 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |