In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 24th, 2009 | 18 | Yes |
Popular Name: 2-methyl-3,4-dihydro-1H-benzothiopheno[2,3-h]isoquinoline 2-methyl-3,4-dihydro-1H-benzothi…
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) | 3.96 | 10.21 | -43.73 | 1 | 1 | 1 | 4 | 254.378 | 0 | ↓ |
Mid Mid (pH 6-8) | 3.96 | 7.8 | -6.77 | 0 | 1 | 0 | 3 | 253.37 | 0 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 840 | 0.47 | Binding ≤ 10μM |
DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 840 | 0.47 | Binding ≤ 10μM |
DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 840 | 0.47 | Binding ≤ 10μM |
DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.47 | Binding ≤ 10μM |
DRD2-17-E | Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic | Eukaryotes | 840 | 0.47 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 840 | 0.47 | Binding ≤ 1μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 840 | 0.47 | Binding ≤ 1μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 840 | 0.47 | Binding ≤ 1μM |
DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 840 | 0.47 | Binding ≤ 1μM |
DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 840 | 0.47 | Binding ≤ 1μM |
DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 7000 | 0.40 | Binding ≤ 10μM |
DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 7000 | 0.40 | Binding ≤ 10μM |
DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 7000 | 0.40 | Binding ≤ 10μM |
DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 7000 | 0.40 | Binding ≤ 10μM |
DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 7000 | 0.40 | Binding ≤ 10μM |
Description | Species |
---|---|
Dopamine receptors | |
G alpha (i) signalling events | |
G alpha (s) signalling events |