Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519894

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1878648 (CHEMBL4380042)

IC50

91100±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

BDBM50519894

n/a

Name

BDBM50519894

Synonyms:

CHEMBL4436630

Type

Small organic molecule

Emp. Form.

C24H13ClF4N2O4

Mol. Mass.

504.818

SMILES

OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1F |(43.04,-48.33,;42.27,-47,;43.03,-45.67,;40.73,-47.01,;39.96,-45.68,;38.43,-45.69,;37.68,-47.01,;36.15,-47.01,;35.39,-48.34,;36.15,-49.66,;33.87,-48.34,;32.63,-49.27,;31.37,-48.37,;31.8,-46.89,;33.36,-46.87,;34.26,-45.6,;35.8,-45.74,;36.69,-44.48,;36.04,-43.06,;34.48,-42.93,;33.6,-44.2,;32.65,-50.81,;34,-51.57,;35.32,-50.77,;34.02,-53.1,;32.69,-53.9,;31.35,-53.14,;31.33,-51.6,;29.99,-50.85,;29.97,-49.32,;28.68,-51.63,;28.66,-50.08,;38.44,-48.34,;39.97,-48.33,;40.74,-49.66,)|

Structure