Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM362868

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

BDBM362868

n/a

Name

BDBM362868

Synonyms:

US9845308, Example 4a | US9845308, Example 5a

Type

Small organic molecule

Emp. Form.

C27H40F3N3O3S

Mol. Mass.

543.685

SMILES

CC(C)[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(ccc12)C(=O)NCC1CCN(CC1)S(C)(=O)=O |r,wU:9.12,wD:6.5,3.2,(-6.52,-3.89,;-5.04,-3.49,;-3.95,-4.58,;-4.64,-2,;-5.54,-.76,;-7.08,-.76,;-7.85,.58,;-7.08,1.91,;-7.85,3.24,;-9.39,3.24,;-10.16,1.91,;-9.39,.58,;-10.16,4.58,;-9.39,5.91,;-11.7,4.58,;-10.93,5.91,;-4.64,.49,;-3.17,.01,;-1.84,.78,;-.51,.01,;-.51,-1.53,;-1.84,-2.3,;-3.17,-1.53,;.83,.78,;.83,2.32,;2.16,.01,;3.49,.78,;4.83,.01,;4.83,-1.53,;6.16,-2.3,;7.54,-1.55,;7.5,.01,;6.16,.78,;8.88,-2.32,;9.65,-.99,;10.21,-3.09,;8.11,-3.66,)|

Structure