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Target
Vitamin D3 receptor
Ligand
BDBM50244268
Substrate
n/a
Meas. Tech.
ChEMBL_491881 (CHEMBL946411)
EC50
0.017000±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:
BDBM50244268
Synonyms:
(20S)-1-alpha-2-alpha-25-Trihydroxy-2beta-methyl-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL472153
Type:
Small organic molecule
Emp. Form.:
C27H44O4S
Mol. Mass.:
464.701
SMILES:
CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,wD:29.31,8.8,t:10,(-2.81,-9.71,;-3.92,-10.77,;-3.56,-12.27,;-2.08,-11.86,;-3.2,-13.77,;-1.72,-14.2,;-5.07,-12.59,;-6.1,-11.44,;-7.6,-11.76,;-8.63,-10.62,;-8.08,-13.23,;-7.18,-14.47,;-8.08,-15.71,;-9.54,-15.23,;-10.87,-16,;-12.22,-15.23,;-12.21,-13.69,;-10.87,-12.92,;-9.54,-13.7,;-9.55,-12.16,;-10.87,-17.54,;-12.22,-18.31,;-12.22,-19.85,;-10.88,-20.63,;-10.88,-22.17,;-9.54,-22.94,;-12.22,-22.93,;-11.12,-24.02,;-13.31,-24.02,;-13.53,-22.17,;-14.88,-22.94,;-13.53,-20.63,)|
Structure:
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