Ki Summary

Reaction Details

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Target

Vitamin D3 receptor

Ligand

BDBM50544017

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1991216 (CHEMBL4624951)

IC50

1183±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

BDBM50544017

n/a

Name

BDBM50544017

Synonyms:

CHEMBL4648303

Type

Small organic molecule

Emp. Form.

C31H29Cl2N3O4

Mol. Mass.

578.486

SMILES

CC(C)Cn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(46.55,-42.95,;47.45,-44.19,;48.98,-44.02,;46.83,-45.59,;47.74,-46.84,;47.27,-48.3,;48.51,-49.2,;49.76,-48.3,;51.26,-48.61,;52.28,-47.46,;51.8,-46,;50.3,-45.69,;49.28,-46.83,;52.82,-44.85,;54.33,-45.16,;52.34,-43.38,;45.8,-48.78,;45.48,-50.29,;44.02,-50.76,;42.87,-49.73,;41.41,-50.21,;40.26,-49.17,;38.79,-49.66,;38.32,-51.12,;36.78,-51.12,;36.3,-49.65,;37.54,-48.75,;37.53,-47.2,;38.88,-46.43,;40.21,-47.2,;38.87,-44.87,;37.53,-44.11,;36.2,-44.88,;36.2,-46.43,;34.87,-47.2,;39.22,-52.36,;38.6,-53.77,;40.75,-52.2,;43.19,-48.23,;44.65,-47.75,)|

Structure