Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50244165

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_491881 (CHEMBL946411)

EC50

0.024000±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

BDBM50244165

n/a

Name

BDBM50244165

Synonyms:

(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-secoestra-5,7,16-triene-1,3-diol | (20R)-1-alpha,25-Dihydroxy-2-alpha-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | (20R)-1-alpha-25-dihydroxy-2-beta-(2-hydroxyethoxy)-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL459034 | CHEMBL514116

Type

Small organic molecule

Emp. Form.

C28H46O5S

Mol. Mass.

494.727

SMILES

CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,8.8,24.26,13.12,wD:31.33,t:10,(9.74,-21.33,;8.62,-22.39,;8.98,-23.88,;10.47,-23.47,;9.35,-25.38,;10.82,-25.82,;7.48,-24.19,;6.45,-23.04,;4.95,-23.35,;3.92,-22.2,;4.46,-24.81,;5.35,-26.06,;4.44,-27.3,;2.99,-26.81,;1.67,-27.58,;.32,-26.81,;.33,-25.27,;1.67,-24.5,;3,-25.28,;2.99,-23.74,;1.67,-29.12,;.33,-29.89,;.33,-31.43,;1.66,-32.21,;1.66,-33.75,;3,-34.52,;.33,-34.51,;.33,-36.05,;1.67,-36.82,;3,-36.05,;4.33,-36.82,;-1,-33.75,;-2.33,-34.52,;-1,-32.21,)|

Structure