| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 22 | Yes |
Popular Name: Fugu poison Fugu poison
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4368-28-9 , [4368-28-9]
| 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) | -4.42 | -15.04 | -31.58 | 10 | 11 | 1 | 192 | 320.278 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US3966934; US4022899; US4029793; US6030974; WO1998043619A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4 | 0.53 | Binding ≤ 10μM |
| SCN9A-1-E | Sodium Channel Protein Type IX Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.52 | Binding ≤ 10μM |
| SCN2A-3-E | Sodium Channel Protein Type II Alpha Subunit (cluster #3 Of 3), Eukaryotic | Eukaryotes | 14 | 0.50 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 4 | 0.53 | Binding ≤ 1μM |
| SCN9A_HUMAN | Q15858 | Sodium Channel Protein Type IX Alpha Subunit, Human | 6 | 0.52 | Binding ≤ 1μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 4 | 0.53 | Binding ≤ 10μM |
| SCN9A_HUMAN | Q15858 | Sodium Channel Protein Type IX Alpha Subunit, Human | 6 | 0.52 | Binding ≤ 10μM |
| SCN2A_RAT | P04775 | Sodium Channel Protein Type II Alpha Subunit, Rat | 14 | 0.50 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
