Voltage-gated L-type calcium channel
Target ID: CHEMBL2095229
Organism: Homo sapiens
Type: PROTEIN FAMILY
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AMITRIPTYLINE | CN(C)CCC=C1c2ccccc2CCc2ccccc21 | IC50: 61.0 nM |  |
| FERULATE | COc1cc(/C=C/C(=O)O)ccc1O | Inhibition: 12.0 % |  |
| ASTEMIZOLE | COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 | Binding energy: 11.3 kCal mol-1 |  |
| SUNITINIB | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | IC50: 80.0 nM |  |
| MIBEFRADIL | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | Inhibition: 86.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]OC | None | 57 |  |
| [7*]C[8*] | 7.1 | 51 |  |
| [4*]CC[8*] | None | 45 |  |
| [5*]N[5*] | 7.1 | 45 |  |
| [7*]C1C(=O)Nc2ccc(F)cc21 | 7.1 | 39 |  |