| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 10 | No |
Popular Name: Amthamine Amthamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 142437-67-0 , 142457-00-9
| 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) | -0.08 | 0.12 | -49.05 | 5 | 3 | 1 | 67 | 158.25 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.08 | 0.57 | -91.2 | 6 | 3 | 2 | 68 | 159.258 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH2-1-E | Histamine H2 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6310 | 0.73 | Binding ≤ 10μM |
| HRH4-2-E | Histamine H4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5012 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH2_HUMAN | P25021 | Histamine H2 Receptor, Human | 6309.57344 | 0.73 | Binding ≤ 10μM |
| HRH4_HUMAN | Q9H3N8 | Histamine H4 Receptor, Human | 5011.87234 | 0.74 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors |
No pre-computed analogs available. Try a structural similarity search.