In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 28th, 2009 | 30 | 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) | 2.72 | 3.37 | -15 | 4 | 10 | 0 | 134 | 544.737 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 823 | 0.28 | Binding ≤ 10μM |
AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 470 | 0.30 | Binding ≤ 10μM |
AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
AA3R-1-E | Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.41 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 222 | 0.31 | Binding ≤ 1μM |
AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 890 | 0.28 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 820 | 0.28 | Binding ≤ 1μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 401 | 0.30 | Binding ≤ 1μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 470 | 0.30 | Binding ≤ 1μM |
AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 0.33 | 0.44 | Binding ≤ 1μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.22 | 0.45 | Binding ≤ 1μM |
AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 820 | 0.28 | Binding ≤ 10μM |
AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1240 | 0.28 | Binding ≤ 10μM |
AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 890 | 0.28 | Binding ≤ 10μM |
AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 470 | 0.30 | Binding ≤ 10μM |
AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 401 | 0.30 | Binding ≤ 10μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.22 | 0.45 | Binding ≤ 10μM |
AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 0.33 | 0.44 | Binding ≤ 10μM |
AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 2.2 | 0.40 | Functional ≤ 10μM |
Description | Species |
---|---|
Adenosine P1 receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events | |
NGF-independant TRKA activation |