Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50244240

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_491881 (CHEMBL946411)

EC50

0.085000±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

BDBM50244240

n/a

Name

BDBM50244240

Synonyms:

(20S)-(2E)-1-alpha-25-Dihydroxy-2-[2-(hydroxy)-ethylidene]-16-ene-22-thia-26,27-dimethyl-19,24-dinorvitamin D3 | CHEMBL472510

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,wD:24.26,8.8,t:10,(-.33,6.64,;-1.45,5.59,;-1.09,4.09,;.39,4.5,;-.73,2.59,;.75,2.16,;-2.6,3.77,;-3.62,4.92,;-5.13,4.61,;-6.16,5.76,;-5.61,3.15,;-4.72,1.9,;-5.62,.66,;-7.08,1.15,;-8.41,.37,;-9.75,1.14,;-9.74,2.69,;-8.41,3.46,;-7.07,2.68,;-7.09,4.22,;-8.41,-1.17,;-9.75,-1.94,;-9.75,-3.48,;-11.08,-4.25,;-11.08,-5.79,;-12.42,-6.57,;-9.75,-6.56,;-9.75,-8.1,;-11.08,-8.87,;-12.43,-8.1,;-8.42,-5.79,;-7.08,-6.57,;-8.42,-4.25,)|

Structure