Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519884

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1878648 (CHEMBL4380042)

IC50

1750±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

BDBM50519884

n/a

Name

BDBM50519884

Synonyms:

CHEMBL4438380

Type

Small organic molecule

Emp. Form.

C22H14ClF3N2O3S

Mol. Mass.

478.871

SMILES

OC(=O)c1ccc(NCc2c(noc2-c2cccs2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.05,-26.26,;64.89,-27.29,;65.19,-28.8,;63.42,-26.79,;62.26,-27.81,;60.8,-27.32,;60.5,-25.81,;59.03,-25.31,;57.87,-26.33,;56.41,-25.84,;55.15,-26.74,;53.91,-25.81,;54.39,-24.34,;55.95,-24.36,;56.86,-23.13,;58.4,-23.14,;58.89,-21.69,;57.66,-20.77,;56.4,-21.66,;55.13,-28.28,;56.46,-29.05,;57.79,-28.29,;56.44,-30.59,;55.1,-31.34,;53.77,-30.56,;53.79,-29.03,;52.47,-28.24,;52.49,-26.7,;51.13,-28.99,;51.13,-27.46,;61.65,-24.78,;63.11,-25.27,)|

Structure