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
1
(Kd <100 nM)
ATP2A1
2
(equivalent to 100 nM ≤ Kd < 1µM)
ATP2A1, ATP2A2, ATP2A3
10
(confirmed non-binding)

Batch Information for HMSL10293-999-2:

HMS LINCS Batch ID: 10293-999-2
Provider:
Provider Batch ID:
Salt: 999
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2015-12-10
Most Recent Update: 2016-12-02