Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50244268

Substrate/Competitor

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 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

BDBM50244268

n/a

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