Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50244241

Substrate/Competitor

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 Chem16:6949-64 (2008) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Vitamin D3 receptor

Name:

Vitamin D3 receptor

Synonyms:

Type:

PROTEIN

Mol. Mass.:

47830.18

Organism:

Mus musculus

Description:

ChEMBL_491881

Residue:

422

Sequence:

MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSL
RPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPIRADVSTGSYSPRPTLSFSGDSSS
NSDLYTPSLDMMEPASFSTMDLNEEGSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFA
KMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTLDDMSWDCGSQDYKYDITDVSRAGH
TLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQT
YIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNE
IS

BDBM50244241

n/a

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