Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM50519888

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1878648 (CHEMBL4380042)

IC50

53500±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

BDBM50519888

n/a

Name

BDBM50519888

Synonyms:

CHEMBL4444484

Type

Small organic molecule

Emp. Form.

C24H14ClF3N2O4

Mol. Mass.

486.827

SMILES

OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(74.24,-7.9,;73.47,-6.57,;74.24,-5.23,;71.93,-6.57,;71.16,-7.9,;69.62,-7.9,;68.85,-6.57,;67.31,-6.57,;66.54,-7.9,;67.31,-9.24,;65.01,-7.9,;63.79,-8.85,;62.52,-7.98,;62.94,-6.49,;64.49,-6.45,;65.35,-5.17,;66.88,-5.29,;67.75,-4.02,;67.08,-2.63,;65.53,-2.52,;64.67,-3.79,;63.83,-10.38,;65.18,-11.1,;66.48,-10.28,;65.23,-12.63,;63.91,-13.45,;62.56,-12.72,;62.51,-11.18,;61.16,-10.45,;61.12,-8.91,;59.84,-11.25,;59.82,-9.68,;69.61,-5.24,;71.15,-5.23,)|

Structure