Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM351706

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 Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9796710 Publication Date 10/24/2017

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

BDBM351706

n/a

Name

BDBM351706

Synonyms:

US9796710, Compound 27

Type

Small organic molecule

Emp. Form.

C32H42F3N3O5S

Mol. Mass.

637.753

SMILES

CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1cnc2[C@H](CC3CCOCC3)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:34.39,11.14,wD:31.32,21.22,(12.26,-2.49,;10.91,-3.25,;9.59,-2.46,;8.8,-3.78,;10.38,-1.14,;8.27,-1.67,;8.2,-.06,;6.87,.71,;5.53,-.06,;5.53,-1.6,;6.87,-2.37,;4.2,.71,;4.2,2.25,;5.53,3.02,;2.87,-.06,;1.53,.71,;1.53,2.25,;.2,-.06,;.2,-1.6,;-1.13,-2.37,;-2.47,-1.6,;-3.93,-2.07,;-4.33,-3.56,;-5.82,-3.96,;-6.22,-5.44,;-7.7,-5.84,;-8.79,-4.75,;-8.39,-3.27,;-6.91,-2.87,;-4.84,-.83,;-6.38,-.83,;-7.15,.51,;-6.38,1.84,;-7.15,3.18,;-8.69,3.18,;-9.46,1.84,;-8.69,.51,;-9.46,4.51,;-8.69,5.84,;-11,4.51,;-10.23,5.84,;-3.93,.42,;-2.47,-.06,;-1.13,.71,)|

Structure