Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM362840

Substrate/Competitor

n/a

Meas. Tech.

Binding Assay

<100±n/a nM

Citation

Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, L Isoindoline inhibitors of ROR-gamma US Patent US9845308 Publication Date 12/19/2017

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

BDBM362840

n/a

Name

BDBM362840

Synonyms:

N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isopropyl-2-((trans-4-(trifluoromethyl)cyclohexyl)methyl)isoindoline-5-carboxamide (1a) and (1b) | US9845308, Example 1a

Type

Small organic molecule

Emp. Form.

C28H36F3N3O3S

Mol. Mass.

551.664

SMILES

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)nc1 |r,wU:26.29,wD:17.17,23.22,(11.55,4.09,;10.21,3.32,;8.88,4.09,;8.11,2.76,;9.65,5.43,;7.54,4.86,;7.5,6.43,;6.16,7.2,;4.83,6.43,;3.49,7.2,;2.16,6.43,;.83,7.2,;.83,8.74,;-.51,6.43,;-.51,4.89,;-1.84,4.12,;-3.17,4.89,;-4.64,4.41,;-5.04,2.93,;-6.52,2.53,;-3.95,1.84,;-5.54,5.66,;-7.08,5.66,;-7.85,6.99,;-7.08,8.33,;-7.85,9.66,;-9.39,9.66,;-10.16,8.33,;-9.39,6.99,;-10.16,10.99,;-9.39,12.33,;-11.7,10.99,;-10.93,12.33,;-4.64,6.91,;-3.17,6.43,;-1.84,7.2,;4.83,4.89,;6.16,4.12,)|

Structure