In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 27th, 2007 | 35 | 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) | 4.51 | -3.91 | -56.76 | 3 | 7 | 1 | 84 | 491.637 | 9 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADRB2-2-E | Beta-2 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 700 | 0.25 | Binding ≤ 10μM |
ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 460 | 0.25 | Binding ≤ 10μM |
ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 120 | 0.28 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 700 | 0.25 | Binding ≤ 1μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 378 | 0.26 | Binding ≤ 1μM |
ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 700 | 0.25 | Binding ≤ 10μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 378 | 0.26 | Binding ≤ 10μM |
ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 120 | 0.28 | Functional ≤ 10μM |
Description | Species |
---|---|
Adrenoceptors | |
G alpha (s) signalling events |