In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 8th, 2009 | 38 | 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 |
---|---|---|---|---|---|---|---|---|---|---|
Hi High (pH 8-9.5) | 4.60 | 11.15 | -146.77 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 8.74 | -5.27 | 3 | 6 | 0 | 62 | 518.746 | 15 | ↓ |
Hi High (pH 8-9.5) | 4.60 | 9.4 | -58.91 | 4 | 6 | 1 | 67 | 519.754 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 10.77 | -102.07 | 5 | 6 | 2 | 65 | 520.762 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 11.52 | -107.65 | 5 | 6 | 2 | 68 | 520.762 | 15 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 12.2 | -207.9 | 6 | 6 | 3 | 69 | 521.77 | 15 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4969 | 0.20 | Binding ≤ 10μM |
OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 8759 | 0.19 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 835 | 0.22 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 835 | 0.22 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 4969 | 0.20 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 8759 | 0.19 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 835 | 0.22 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |