In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 13th, 2010 | 30 | Yes |
Popular Name: MCOPPB trihydrochloride MCOPPB trihydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: [1028969-49-4]
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) | 5.19 | 13.15 | -108.4 | 3 | 4 | 2 | 39 | 410.65 | 3 | ↓ |
Hi High (pH 8-9.5) | 7.27 | 15.48 | -8.15 | 0 | 3 | 0 | 36 | 414.545 | 3 | ↓ |
Lo Low (pH 4.5-6) | 5.19 | 13.71 | -184.59 | 4 | 4 | 3 | 40 | 411.658 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4696 | 0.25 | Binding ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 80 | 0.33 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 34 | 0.35 | Binding ≤ 10μM |
OPRX-1-E | Nociceptin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 23.1 | 0.36 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 1.052 | 0.42 | Binding ≤ 1μM |
OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 0.1 | 0.47 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 4696 | 0.25 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 23.1 | 0.36 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 1.052 | 0.42 | Binding ≤ 10μM |
OPRX_HUMAN | P41146 | Nociceptin Receptor, Human | 0.1 | 0.47 | Binding ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |