Brief Information of the Compound and Protein
Compound Name
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aS)-1-[(2S,4R)-2,4-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
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PubChem ID
CID: 127049582
Canonical SMILES
CC(C)C[C@@H](O)C[C@](C)(O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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Compound Formula C27H44O4
Compound Structure
Protein Name
Vitamin D3 receptor
Protein Classification
Transcription factor
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Nuclear receptor
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Nuclear hormone receptor subfamily 1
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Nuclear hormone receptor subfamily 1 group I
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Nuclear hormone receptor subfamily 1 group I member 1
Uniprot ID
P11473
Gene Name
VDR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2 Homo sapiens (Human)  1
1
EC50 = 171.7 nM
   TI
   LI
   LO
   TS
CL000150 HaCaT Homo sapiens (Human)  1
1
EC50 = 116.9 nM
   TI
   LI
   LO
   TS
CL000001 Jurkat Homo sapiens (Human)  1
1
EC50 = 30.64 nM
   TI
   LI
   LO
   TS