In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 24th, 2004 | 28 | 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) | 4.95 | 9.46 | -40.84 | 2 | 4 | 1 | 47 | 383.556 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.95 | 9.9 | -91.88 | 3 | 4 | 2 | 48 | 384.564 | 7 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 740 | 0.31 | Binding ≤ 10μM |
SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 740 | 0.31 | Binding ≤ 10μM |
SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 740 | 0.31 | Binding ≤ 10μM |
SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 740 | 0.31 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 1μM |
SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 1μM |
SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 1μM |
SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 1μM |
SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 10μM |
SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 10μM |
SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 10μM |
SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 740 | 0.31 | Binding ≤ 10μM |
Description | Species |
---|---|
Interaction between L1 and Ankyrins |