Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM317986

Substrate/Competitor

n/a

Meas. Tech.

Binding Assay

<100±n/a nM

Citation

Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Liu, Z; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9624217 Publication Date 4/18/2017

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

BDBM317986

n/a

Name

BDBM317986

Synonyms:

US10399976, Compound 139 | US10807980, Compound 139 | US11535614, Compound 139 | US9624217, Compound 139

Type

Small organic molecule

Emp. Form.

C28H34F3N3O3

Mol. Mass.

517.5831

SMILES

CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)|

Structure