Brief Information of the Compound and Protein
Compound Name
(2S,3R)-2-[[5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carbonyl]amino]-3-methylpentanoic acid
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PubChem ID
CID: 127039940
Canonical SMILES
CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(O)=O
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Compound Formula C31H46N2O5
Compound Structure
Protein Name
Vitamin D3 receptor
Protein Classification
Transcription factor
>
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
CL000018 HL-60 Homo sapiens (Human)  1
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 563.6 nM