Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T57613 Target Info
Target Name TWIK-related acid-sensitive potassium channel 3 (TASK3)
Synonyms Two pore potassium channel KT3.2; TWIK-related acid-sensitive K+ channel 3; KCNK9; Acid-sensitive potassium channel protein TASK-3
Target Type Literature-reported Target
Gene Name KCNK9
UniProt ID
KCNK9_HUMAN
Ligand General Information  Top
Ligand Name (1S)-3-Isopropyl-4beta-(4-O,6-O-isopropylidene-alpha-D-glucopyranosyloxy)-6alpha,10aalpha-dimethyl-9alpha-(methoxymethyl)-1beta,2beta-(epoxyethano)-1,2,4,5,6,6abeta,7,8,9,10a-decahydrodicyclopenta[a,d]cyclooctene-5alpha-ol Ligand Info
Canonical SMILES CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C(C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC
InChI 1S/C32H50O9/c1-15(2)22-19-10-11-37-29(19)32(6)12-20-17(13-36-7)8-9-18(20)16(3)24(33)28(23(22)32)40-30-26(35)25(34)27-21(39-30)14-38-31(4,5)41-27/h12,15-19,21,24-30,33-35H,8-11,13-14H2,1-7H3/b20-12-/t16-,17-,18+,19+,21-,24-,25-,26-,27-,28-,29+,30-,32-/m1/s1
InChIKey VVWLHUXTBJWIOB-YGTMNZBKSA-N
PubChem Compound ID 101950777
Drug Binding Sites of Target  Top
PDB ID: 3SPR      Crystal structure of human 14-3-3 sigma C38V/N166H in complex with TASK-3 peptide and stabilizer FC-THF
Method X-ray diffraction Resolution 1.99 Å Mutation Yes [1]
PDB Sequence
KRRKV
Residue
Distance (Å)
VAL374
3.185
Residue
Distance (Å)
PDB ID: 3SMN      Crystal structure of human 14-3-3 sigma C38N/N166H in complex with task-3 peptide and stabilizer Fusicoccin A-THF
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
KRRKV
Residue
Distance (Å)
VAL374
3.484
Residue
Distance (Å)
References  Top
REF 1 A semisynthetic fusicoccane stabilizes a protein-protein interaction and enhances the expression of K+ channels at the cell surface. Chem Biol. 2013 Apr 18;20(4):583-93.

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