In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 3rd, 2005 | 28 | Yes |
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) | 1.65 | 2.3 | -16.14 | 4 | 9 | 0 | 126 | 385.424 | 6 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.43 | Binding ≤ 10μM |
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.43 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 220 | 0.33 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 884 | 0.30 | Binding ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 96 | 0.35 | Binding ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 220 | 0.33 | Binding ≤ 10μM |
AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 9 | 0.40 | Binding ≤ 10μM |
AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 53 | 0.36 | Binding ≤ 10μM |
AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 96 | 0.35 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.30 | Functional ≤ 10μM |
AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1680 | 0.29 | Functional ≤ 10μM |
ADCY2-1-E | Adenylate Cyclase Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 980 | 0.30 | Functional ≤ 10μM |
Z50597-2-O | Rattus Norvegicus (cluster #2 Of 5), Other | Other | 900 | 0.30 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 2 | 0.43 | Binding ≤ 1μM |
AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 0.6 | 0.46 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 0.6 | 0.46 | Binding ≤ 1μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 120 | 0.35 | Binding ≤ 1μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 884 | 0.30 | Binding ≤ 1μM |
AA2AR_CAVPO | P46616 | Adenosine A2a Receptor, Guinea Pig | 130 | 0.34 | Binding ≤ 1μM |
AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 120 | 0.35 | Binding ≤ 1μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 950 | 0.30 | Binding ≤ 1μM |
AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 53 | 0.36 | Binding ≤ 1μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 27 | 0.38 | Binding ≤ 1μM |
Z50597 | Z50597 | Rattus Norvegicus | 0.6 | 0.46 | Binding ≤ 1μM |
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1200 | 0.30 | Binding ≤ 10μM |
AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 0.6 | 0.46 | Binding ≤ 10μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 0.6 | 0.46 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 120 | 0.35 | Binding ≤ 10μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 884 | 0.30 | Binding ≤ 10μM |
AA2AR_CAVPO | P46616 | Adenosine A2a Receptor, Guinea Pig | 130 | 0.34 | Binding ≤ 10μM |
AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 120 | 0.35 | Binding ≤ 10μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 1700 | 0.29 | Binding ≤ 10μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 27 | 0.38 | Binding ≤ 10μM |
AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 53 | 0.36 | Binding ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 0.6 | 0.46 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 980 | 0.30 | Functional ≤ 10μM |
AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 1680 | 0.29 | Functional ≤ 10μM |
ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 980 | 0.30 | Functional ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
Adenylate cyclase activating pathway | |
Adenylate cyclase inhibitory pathway | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
G alpha (z) signalling events | |
Glucagon signaling in metabolic regulation | |
NGF-independant TRKA activation | |
PKA activation | |
PKA activation in glucagon signalling | |
Vasopressin regulates renal water homeostasis via Aquaporins |