Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50544014

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1991216 (CHEMBL4624951)

IC50

>10000±n/a nM

Citation

Masuda, A; Gohda, K; Iguchi, Y; Fujimori, K; Yamashita, Y; Oda, K; Une, M; Teno, N N Bioorg Med Chem28:0 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Vitamin D3 receptor

Name:

Vitamin D3 receptor

Synonyms:

Type:

Protein

Mol. Mass.:

48288.72

Organism:

Homo sapiens (Human)

Description:

P11473

Residue:

427

Sequence:

MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS

BDBM50544014

n/a

Name

BDBM50544014

Synonyms:

CHEMBL4637834

Type

Small organic molecule

Emp. Form.

C34H35Cl2N3O4

Mol. Mass.

620.565

SMILES

CCCC(CCC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(12.15,-5.82,;13.68,-5.65,;14.58,-6.89,;16.11,-6.73,;16.73,-5.33,;15.82,-4.09,;16.44,-2.68,;17.02,-7.98,;16.55,-9.44,;17.79,-10.35,;19.03,-9.44,;20.53,-9.75,;21.56,-8.6,;21.08,-7.14,;19.58,-6.83,;18.56,-7.98,;22.1,-5.99,;23.61,-6.3,;21.62,-4.52,;15.08,-9.92,;14.75,-11.43,;13.3,-11.91,;12.15,-10.87,;10.68,-11.35,;9.54,-10.31,;8.07,-10.8,;7.6,-12.26,;6.05,-12.26,;5.58,-10.8,;6.82,-9.89,;6.81,-8.34,;8.15,-7.57,;9.49,-8.34,;8.15,-6.01,;6.81,-5.25,;5.48,-6.02,;5.47,-7.57,;4.14,-8.34,;8.5,-13.5,;7.87,-14.91,;10.03,-13.34,;12.46,-9.37,;13.93,-8.89,)|

Structure