| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 23rd, 2009 | 18 | Yes |
Popular Name: (2S)-3-(3,4-difluorophenyl)-2-methyl-2-(2H-tetrazol-5-yl)propan-1-amine (2S)-3-(3,4-difluorophenyl)-2-me…
| 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) | 0.82 | 2.19 | -46.35 | 3 | 5 | 0 | 80 | 253.256 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.82 | 2.35 | -59.43 | 4 | 5 | 1 | 82 | 254.264 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1-3-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 520 | 0.49 | Binding ≤ 10μM |
| CA2D2-2-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 520 | 0.49 | Binding ≤ 10μM |
| CA2D3-2-E | Voltage-gated Calcium Channel Alpha2/delta Subunit 3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 520 | 0.49 | Binding ≤ 10μM |
| CA2D4-2-E | Voltage-gated Calcium Channel Alpha2/delta-4 Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 520 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CA2D1_HUMAN | P54289 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human | 520 | 0.49 | Binding ≤ 1μM |
| CA2D2_HUMAN | Q9NY47 | Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human | 520 | 0.49 | Binding ≤ 1μM |
| CA2D3_HUMAN | Q8IZS8 | Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human | 520 | 0.49 | Binding ≤ 1μM |
| CA2D4_HUMAN | Q7Z3S7 | Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human | 520 | 0.49 | Binding ≤ 1μM |
| CA2D1_HUMAN | P54289 | Voltage-gated Calcium Channel Alpha2/delta Subunit 1, Human | 520 | 0.49 | Binding ≤ 10μM |
| CA2D2_HUMAN | Q9NY47 | Voltage-gated Calcium Channel Alpha2/delta Subunit 2, Human | 520 | 0.49 | Binding ≤ 10μM |
| CA2D3_HUMAN | Q8IZS8 | Voltage-gated Calcium Channel Alpha2/delta Subunit 3, Human | 520 | 0.49 | Binding ≤ 10μM |
| CA2D4_HUMAN | Q7Z3S7 | Voltage-gated Calcium Channel Alpha2/delta-4 Subunit, Human | 520 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Depolarization of the Presynaptic Terminal Triggers the Opening of Calcium Chann | |
| Regulation of insulin secretion |
