Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519882

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1878648 (CHEMBL4380042)

IC50

6620±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

BDBM50519882

n/a

Name

BDBM50519882

Synonyms:

CHEMBL4465726

Type

Small organic molecule

Emp. Form.

C24H16ClF3N2O4

Mol. Mass.

488.843

SMILES

OC(=O)c1ccc(NCc2c(noc2-c2cccc(O)c2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(68.2,-47.19,;67.04,-48.22,;67.34,-49.73,;65.57,-47.72,;64.41,-48.75,;62.95,-48.26,;62.65,-46.74,;61.18,-46.24,;60.02,-47.27,;58.56,-46.78,;57.3,-47.67,;56.06,-46.75,;56.54,-45.28,;58.1,-45.3,;59.01,-44.06,;60.54,-44.24,;61.46,-43.01,;60.85,-41.6,;59.32,-41.43,;58.7,-40.02,;58.41,-42.66,;57.28,-49.21,;58.61,-49.99,;59.94,-49.23,;58.59,-51.52,;57.25,-52.28,;55.92,-51.5,;55.94,-49.96,;54.62,-49.18,;54.64,-47.64,;53.28,-49.93,;53.28,-48.4,;63.8,-45.72,;65.26,-46.2,)|

Structure