In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 28 | Yes |
Popular Name: methylBLAHdiol methylBLAHdiol
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) | 2.93 | 4.19 | -55.85 | 4 | 5 | 1 | 70 | 375.448 | 0 | ↓ |
Hi High (pH 8-9.5) | 2.93 | 2.72 | -11.3 | 3 | 5 | 0 | 69 | 374.44 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.43 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 395 | 0.32 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 661 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 2 | 0.43 | Binding ≤ 1μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 0.8 | 0.45 | Binding ≤ 1μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 395 | 0.32 | Binding ≤ 1μM |
OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 77 | 0.36 | Binding ≤ 1μM |
OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 661 | 0.31 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 171 | 0.34 | Binding ≤ 1μM |
OPRD_MOUSE | P32300 | Delta Opioid Receptor, Mouse | 0.8 | 0.45 | Binding ≤ 10μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 2 | 0.43 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 395 | 0.32 | Binding ≤ 10μM |
OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 77 | 0.36 | Binding ≤ 10μM |
OPRM_MOUSE | P42866 | Mu Opioid Receptor, Mouse | 661 | 0.31 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 171 | 0.34 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |