| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 19 | 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) | 2.38 | 4.89 | -8.18 | 1 | 4 | 0 | 39 | 277.755 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Indications | colitis | KeyOrganics Bioactives |
| Target | Histamine Receptor | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 977 | 0.44 | Binding ≤ 10μM |
| HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8511 | 0.37 | Binding ≤ 10μM |
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5125 | 0.39 | Binding ≤ 10μM |
| HRH4-1-E | Histamine H4 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 50 | 0.54 | Binding ≤ 10μM |
| HRH4-1-E | Histamine H4 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 86 | 0.52 | Functional ≤ 10μM |
| Z100488-1-O | Mast Cells (Bone-marrow Mast Cells) (cluster #1 Of 1), Other | Other | 40 | 0.55 | Functional ≤ 10μM |
| Z100489-1-O | Eosinophils (Eosinophils) (cluster #1 Of 1), Other | Other | 86 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 977.237221 | 0.44 | Binding ≤ 1μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 12 | 0.58 | Binding ≤ 1μM |
| HRH4_RAT | Q91ZY1 | Histamine H4 Receptor, Rat | 2.4 | 0.64 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 977.237221 | 0.44 | Binding ≤ 10μM |
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 8511.38038 | 0.37 | Binding ≤ 10μM |
| HRH3_HUMAN | Q9Y5N1 | Histamine H3 Receptor, Human | 2238.72114 | 0.42 | Binding ≤ 10μM |
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 1318.25674 | 0.43 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 12 | 0.58 | Binding ≤ 10μM |
| HRH4_RAT | Q91ZY1 | Histamine H4 Receptor, Rat | 2.4 | 0.64 | Binding ≤ 10μM |
| Z100489 | Z100489 | Eosinophils (Eosinophils) | 86 | 0.52 | Functional ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 40 | 0.55 | Functional ≤ 10μM |
| Z100488 | Z100488 | Mast Cells (Bone-marrow Mast Cells) | 40 | 0.55 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors |
