In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 43 | No |
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) | 0.35 | 2.16 | -65.26 | 9 | 12 | 1 | 193 | 595.721 | 8 | ↓ |
Mid Mid (pH 6-8) | 0.35 | 1.8 | -21.02 | 8 | 12 | 0 | 192 | 594.713 | 8 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 221 | 0.22 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 57 | 0.24 | Binding ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 48 | 0.24 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 100 | 0.23 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 31.4 | 0.24 | Binding ≤ 1μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 100 | 0.23 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 31.4 | 0.24 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 48 | 0.24 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |