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Target
Vitamin D3 receptor
Ligand
BDBM50244241
Substrate
n/a
Meas. Tech.
ChEMBL_491881 (CHEMBL946411)
EC50
0.029000±n/a nM
Citation
 Shimizu, M; Miyamoto, Y; Takaku, H; Matsuo, M; Nakabayashi, M; Masuno, H; Udagawa, N; DeLuca, HF; Ikura, T; Ito, N 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure. Bioorg Med Chem 16:6949-64 (2008) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | Nr1i1 | Nuclear receptor subfamily 1 group I member 1 | VDR_MOUSE | Vdr | Vitamin D receptor | Vitamin D3 receptor
Type:
PROTEIN
Mol. Mass.:
47830.18
Organism:
Mus musculus
Description:
ChEMBL_491881
Residue:
422
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSLRPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPIRADVSTGSYSPRPTLSFSGDSSSNSDLYTPSLDMMEPASFSTMDLNEEGSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTLDDMSWDCGSQDYKYDITDVSRAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50244241
Synonyms:
(20R)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-ethylidene]-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | (20R)-(2Z)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-ethylidene]-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL472152 | CHEMBL472511
Type:
Small organic molecule
Emp. Form.:
C28H44O4S
Mol. Mass.:
476.712
SMILES:
CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)|
Structure:
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