Thapsigargin - Small Molecule (ID:10293-999)
| HMS LINCS ID: |
10293-999
|
| Name: | Thapsigargin |
| Alternative Names: | |
| LINCS ID: | LSM-43008 |
| PubChem CID: | 49926 |
| ChEBI ID: | |
| ChEMBL ID: | 96926 |
| Molecular Mass: | 650.33 |
| InChi: | InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1 |
| InChi Key: | IXFPJGBNCFXKPI-LGJGSQFISA-N |
| SMILES: | CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)C(=CC)C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-03-30 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
ATP2A1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | ATP2A1, ATP2A2, ATP2A3 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10293-999-2 |
(Kd <100 nM)