| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 28th, 2006 | 30 | No |
Popular Name: N-Oleoyl Dopamine N-Oleoyl Dopamine
Find On: PubMed — Wikipedia — Google
CAS Number: 105955-11-1
| 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) | 8.28 | -2.01 | -13.81 | 3 | 4 | 0 | 69 | 417.634 | 18 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF-2-B | Anthrax Lethal Factor (cluster #2 Of 2), Bacterial | Bacteria | 3000 | 0.26 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.24 | Functional ≤ 10μM |
| Z80178-1-O | J774.A1 (Macrophage Cells) (cluster #1 Of 3), Other | Other | 5000 | 0.25 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LEF_BACAN | P15917 | Anthrax Lethal Factor, Bacan | 3000 | 0.26 | Binding ≤ 10μM |
| Z80178 | Z80178 | J774.A1 (Macrophage Cells) | 5000 | 0.25 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.23 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Uptake and function of anthrax toxins |
