| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 3rd, 2008 | 30 | Yes |
Popular Name: TA-3090 TA-3090
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111659-76-8 , 96125-53-0 , 96128-92-6
96128-92-6; Clentiazem maleate (USAN); D03536
| 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) | 3.99 | 2.8 | -42.32 | 1 | 6 | 1 | 60 | 449.98 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 81 | 0.33 | Binding ≤ 10μM |
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 95 | 0.33 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 81 | 0.33 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 95 | 0.33 | Binding ≤ 10μM |
| CAC1E-1-E | Voltage-gated R-type Calcium Channel Alpha-1E Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 81 | 0.33 | Binding ≤ 10μM |
| CAC1E-1-E | Voltage-gated R-type Calcium Channel Alpha-1E Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 95 | 0.33 | Binding ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 100 | 0.33 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 240 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 81 | 0.33 | Binding ≤ 1μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 81 | 0.33 | Binding ≤ 1μM |
| CAC1E_RAT | Q07652 | Voltage-gated R-type Calcium Channel Alpha-1E Subunit, Rat | 81 | 0.33 | Binding ≤ 1μM |
| CAC1C_RAT | P22002 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Rat | 81 | 0.33 | Binding ≤ 10μM |
| CAC1D_RAT | P27732 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Rat | 81 | 0.33 | Binding ≤ 10μM |
| CAC1E_RAT | Q07652 | Voltage-gated R-type Calcium Channel Alpha-1E Subunit, Rat | 81 | 0.33 | Binding ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 240 | 0.31 | Functional ≤ 10μM |
