| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | Yes |
Popular Name: A3 Hydrochloride A3 Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Number: 78957-85-4
| 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) | 1.60 | 1.67 | -54.1 | 4 | 4 | 1 | 74 | 285.776 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MYLK-1-E | Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7400 | 0.40 | Binding ≤ 10μM |
| Z50425-2-O | Plasmodium Falciparum (cluster #2 Of 22), Other | Other | 7943 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MYLK_HUMAN | Q15746 | Myosin Light Chain Kinase, Smooth Muscle, Human | 7400 | 0.40 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 6309.57344 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Smooth Muscle Contraction |
No pre-computed analogs available. Try a structural similarity search.