In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 8th, 2011 | 32 | Yes |
Popular Name: cyclopropylmethylspiro[1,3-benzodioxole-2,2'-BLAH]diol cyclopropylmethylspiro[1,3-benzo…
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) | 3.78 | 7.27 | -54.75 | 3 | 6 | 1 | 73 | 434.512 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.78 | 5.47 | -15.89 | 2 | 6 | 0 | 71 | 433.504 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 15 | 0.34 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 25 | 0.33 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.36 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 15 | 0.34 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 121 | 0.30 | Binding ≤ 1μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 25 | 0.33 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 5.2 | 0.36 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 121 | 0.30 | Binding ≤ 10μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 15 | 0.34 | Binding ≤ 10μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 25 | 0.33 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 5.2 | 0.36 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |