In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 16th, 2009 | 22 | No |
Popular Name: isopropylBLAHdiol isopropylBLAHdiol
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) | 3.57 | 6.78 | -40.48 | 3 | 3 | 1 | 45 | 296.39 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.57 | 4.59 | -10.95 | 2 | 3 | 0 | 44 | 295.382 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 199 | 0.43 | Functional ≤ 10μM |
DRD2-1-E | Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 199 | 0.43 | Functional ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 199 | 0.43 | Functional ≤ 10μM |
DRD4-1-E | Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 199 | 0.43 | Functional ≤ 10μM |
DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 199 | 0.43 | Functional ≤ 10μM |
DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 895 | 0.38 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 895 | 0.38 | Binding ≤ 1μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 895 | 0.38 | Binding ≤ 10μM |
DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 199 | 0.43 | Functional ≤ 10μM |
DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 199 | 0.43 | Functional ≤ 10μM |
DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 199 | 0.43 | Functional ≤ 10μM |
DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 199 | 0.43 | Functional ≤ 10μM |
DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 199 | 0.43 | Functional ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events |