In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2004 | 24 | Yes |
Popular Name: U 50488 hydrochloride U 50488 hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109620-49-7 , 67198-13-4 , 83913-06-8
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) | 4.57 | 12.09 | -41.19 | 1 | 3 | 1 | 25 | 370.344 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2500 | 0.33 | Binding ≤ 10μM |
OPRK-4-E | Kappa Opioid Receptor (cluster #4 Of 6), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
OPRM-1-E | Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 220 | 0.39 | Binding ≤ 10μM |
SGMR1-1-E | Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic | Eukaryotes | 874 | 0.35 | Binding ≤ 10μM |
OPRD-1-E | Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.50 | Functional ≤ 10μM |
OPRK-1-E | Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.48 | Functional ≤ 10μM |
OPRM-1-E | Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3 | 0.50 | Functional ≤ 10μM |
Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.29 | Functional ≤ 10μM |
Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 2 | 0.51 | Functional ≤ 10μM |
Z50594-4-O | Mus Musculus (cluster #4 Of 9), Other | Other | 1 | 0.53 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 0.36 | 0.55 | Binding ≤ 1μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 0.303 | 0.56 | Binding ≤ 1μM |
OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 5.4 | 0.48 | Binding ≤ 1μM |
OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 220 | 0.39 | Binding ≤ 1μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 206 | 0.39 | Binding ≤ 1μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 716 | 0.36 | Binding ≤ 1μM |
SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 594 | 0.36 | Binding ≤ 1μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 2500 | 0.33 | Binding ≤ 10μM |
OPRD_RAT | P33533 | Delta Opioid Receptor, Rat | 2150 | 0.33 | Binding ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 0.36 | 0.55 | Binding ≤ 10μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 0.303 | 0.56 | Binding ≤ 10μM |
OPRK_RAT | P34975 | Kappa Opioid Receptor, Rat | 2150 | 0.33 | Binding ≤ 10μM |
OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 5.4 | 0.48 | Binding ≤ 10μM |
OPRM_CAVPO | P97266 | Mu Opioid Receptor, Guinea Pig | 220 | 0.39 | Binding ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 206 | 0.39 | Binding ≤ 10μM |
OPRM_RAT | P33535 | Mu Opioid Receptor, Rat | 1750 | 0.34 | Binding ≤ 10μM |
SGMR1_HUMAN | Q99720 | Sigma Opioid Receptor, Human | 1270 | 0.34 | Binding ≤ 10μM |
Z50512 | Z50512 | Cavia Porcellus | 2.2 | 0.51 | Functional ≤ 10μM |
OPRD_HUMAN | P41143 | Delta Opioid Receptor, Human | 2.61 | 0.50 | Functional ≤ 10μM |
OPRK_MOUSE | P33534 | Kappa Opioid Receptor, Mouse | 2.35 | 0.50 | Functional ≤ 10μM |
OPRK_HUMAN | P41145 | Kappa Opioid Receptor, Human | 2.61 | 0.50 | Functional ≤ 10μM |
OPRK_CAVPO | P41144 | Kappa Opioid Receptor, Guinea Pig | 1.12 | 0.52 | Functional ≤ 10μM |
OPRM_HUMAN | P35372 | Mu Opioid Receptor, Human | 2.61 | 0.50 | Functional ≤ 10μM |
Z50594 | Z50594 | Mus Musculus | 0.15 | 0.57 | Functional ≤ 10μM |
Z50425 | Z50425 | Plasmodium Falciparum | 2511.88643 | 0.33 | Functional ≤ 10μM |
Description | Species |
---|---|
G alpha (i) signalling events | |
G-protein activation | |
Opioid Signalling | |
Peptide ligand-binding receptors |