Ki Summary

Reaction Details

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Target

Nuclear receptor ROR-gamma

Ligand

BDBM317892

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

BDBM317892

n/a

Name

BDBM317892

Synonyms:

US10399976, Compound 45 | US10807980, Compound 45 | US11535614, Compound 45 | US9624217, Compound 45

Type

Small organic molecule

Emp. Form.

C28H39N3O4S

Mol. Mass.

513.692

SMILES

CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)|

Structure