Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519889

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

BDBM50519889

n/a

Name

BDBM50519889

Synonyms:

CHEMBL4466846

Type

Small organic molecule

Emp. Form.

C28H22ClF3N2O4

Mol. Mass.

542.933

SMILES

CC(C)(C)OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(42.68,-30.58,;41.91,-29.25,;42.68,-27.91,;43.44,-29.24,;40.37,-29.25,;39.6,-27.92,;40.36,-26.58,;38.06,-27.92,;37.29,-29.26,;35.75,-29.26,;34.98,-27.92,;33.44,-27.92,;32.67,-29.26,;33.44,-30.59,;31.14,-29.26,;29.9,-30.19,;28.64,-29.29,;29.09,-27.81,;30.64,-27.79,;31.53,-26.53,;33.07,-26.67,;33.96,-25.4,;33.31,-24,;31.76,-23.86,;30.88,-25.13,;29.92,-31.72,;31.26,-32.47,;32.58,-31.68,;31.28,-34.01,;29.95,-34.8,;28.61,-34.05,;28.59,-32.51,;27.25,-31.75,;27.23,-30.21,;25.92,-32.53,;25.91,-30.98,;35.74,-26.59,;37.28,-26.58,)|

Structure