Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519887

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1878648 (CHEMBL4380042)

IC50

>100000±n/a nM

Citation

Meijer, FA; Doveston, RG; de Vries, RMJM; Vos, GM; Vos, AAA; Leysen, S; Scheepstra, M; Ottmann, C; Milroy, LG; Brunsveld, L Ligand-Based Design of Allosteric Retinoic Acid Receptor-Related Orphan Receptor ?t (ROR?t) Inverse Agonists. J Med Chem63:241-259 (2020) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Nuclear receptor ROR-gamma

Name:

Nuclear receptor ROR-gamma

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

58218.40

Organism:

Homo sapiens (Human)

Description:

P51449

Residue:

518

Sequence:

MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK

BDBM50519887

n/a

Name

BDBM50519887

Synonyms:

CHEMBL4457177

Type

Small organic molecule

Emp. Form.

C24H14ClF3N2O4

Mol. Mass.

486.827

SMILES

OC(=O)c1ccc(cc1)C(=O)Nc1c(noc1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F |(41.67,-9.99,;41.39,-8.48,;42.56,-7.48,;39.94,-7.97,;38.77,-8.97,;37.32,-8.46,;37.04,-6.95,;38.2,-5.95,;39.65,-6.45,;35.59,-6.44,;35.31,-4.92,;34.42,-7.44,;32.97,-6.93,;31.7,-7.81,;30.47,-6.86,;30.97,-5.41,;32.53,-5.45,;33.46,-4.23,;34.99,-4.43,;35.92,-3.21,;35.33,-1.79,;33.8,-1.59,;32.87,-2.81,;31.72,-9.39,;33.09,-10.15,;34.45,-9.34,;33.11,-11.73,;31.75,-12.54,;30.37,-11.76,;30.35,-10.19,;29.02,-9.43,;29,-7.89,;27.69,-10.21,;27.67,-8.66,)|

Structure