Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM362923

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

BDBM362923

n/a

Name

BDBM362923

Synonyms:

(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-1-isopropyl-2-((2-(trifluoromethyl)-1,3-dioxan-5-yl)methyl)isoindoline-5-carboxamide (32a and 32b) | US9845308, Example 32a | US9845308, Example 32b

Type

Small organic molecule

Emp. Form.

C26H32F3N3O5S

Mol. Mass.

555.61

SMILES

CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@H](C(C)C)N(C[C@H]4CO[C@H](OC4)C(F)(F)F)Cc3c2)nc1 |r,wU:23.22,26.29,wD:17.17,(10.83,-9.4,;9.5,-8.63,;8.16,-9.4,;7.39,-10.73,;8.93,-10.73,;6.83,-8.63,;6.83,-7.09,;5.5,-6.32,;4.16,-7.09,;2.83,-6.32,;1.49,-7.09,;.16,-6.32,;.16,-4.78,;-1.17,-7.09,;-1.17,-8.63,;-2.51,-9.4,;-3.84,-8.63,;-5.3,-9.1,;-5.7,-10.59,;-7.19,-10.99,;-4.61,-11.68,;-6.21,-7.86,;-7.75,-7.86,;-8.52,-6.52,;-10.06,-6.52,;-10.83,-5.19,;-10.06,-3.85,;-8.52,-3.85,;-7.75,-5.19,;-10.83,-2.52,;-10.06,-1.19,;-12.37,-2.52,;-11.6,-1.19,;-5.3,-6.61,;-3.84,-7.09,;-2.51,-6.32,;4.16,-8.63,;5.5,-9.4,)|

Structure