Thapsigargin - Small Molecule (ID:10293-101)

HMS LINCS ID: 10293-101
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
1
(Kd <100 nM)
ATP2A1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ATP2A1, ATP2A2, ATP2A3
10
(confirmed non-binding)
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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
10293-101-1 Sigma-Aldrich 060M4035