In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 11th, 2010 | 50 | 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) | 1.03 | 4.5 | -123.13 | 8 | 12 | 2 | 166 | 688.822 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 2.75 | -68.32 | 7 | 12 | 1 | 165 | 687.814 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.03 | 1.04 | -25.41 | 6 | 12 | 0 | 164 | 686.806 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 100 | 0.20 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 500 | 0.18 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 50 | 0.20 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.21 | Functional ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 30 | 0.21 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 100 | 0.20 | Binding ≤ 1μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 500 | 0.18 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 50 | 0.20 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 100 | 0.20 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 500 | 0.18 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 50 | 0.20 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 30.2 | 0.21 | Functional ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 30.2 | 0.21 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |