Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50244269

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_491881 (CHEMBL946411)

EC50

0.120000±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

BDBM50244269

n/a

Name

BDBM50244269

Synonyms:

(20R)-1-alpha-2-alpha-25-Trihydroxy-2-beta-methyl-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | (20R)-1-alpha-2-beta-25-trihydroxy-2-alpha-methyl-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL472321 | CHEMBL513573

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:13.12,18.20,24.26,8.8,wD:29.31,t:10,(8.85,-9.48,;7.73,-10.54,;8.1,-12.04,;9.58,-11.63,;8.46,-13.53,;9.94,-13.97,;6.59,-12.36,;5.56,-11.21,;4.06,-11.53,;3.03,-10.38,;3.58,-12.99,;4.48,-14.23,;3.58,-15.47,;2.12,-15,;.79,-15.77,;-.56,-15,;-.55,-13.45,;.79,-12.69,;2.12,-13.46,;2.11,-11.92,;.79,-17.31,;-.55,-18.08,;-.55,-19.62,;.78,-20.39,;.78,-21.93,;2.12,-22.71,;-.55,-22.7,;.54,-23.78,;-1.65,-23.78,;-1.87,-21.93,;-3.21,-22.71,;-1.87,-20.39,)|

Structure