Ki Summary

Reaction Details

Report a problem with these data

Target

Nuclear receptor ROR-gamma

Ligand

BDBM329645

Substrate/Competitor

n/a

Meas. Tech.

Binding Assay

<100±n/a nM

Citation

Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US9663515 Publication Date 5/30/2017

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

BDBM329645

n/a

Name

BDBM329645

Synonyms:

(S)-7-ethyl-N�((R)-1-(4-(ethylsulfonyl)phenyl)-2-methoxyethyl)-6-((trans-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide | US11001583, Compound 1 | US9663515, Compound 1

Type

Small organic molecule

Emp. Form.

C29H38F3N3O4S

Mol. Mass.

581.69

SMILES

CC[C@@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC)c1ccc(cc1)S(=O)(=O)CC |r,wU:25.27,8.11,wD:2.1,5.4,(-5.94,-18.02,;-4.43,-17.7,;-3.95,-16.24,;-4.86,-14.99,;-6.4,-14.99,;-7.17,-13.66,;-6.4,-12.33,;-7.17,-10.99,;-8.71,-10.99,;-9.48,-12.33,;-8.71,-13.66,;-9.48,-9.66,;-8.71,-8.32,;-11.02,-9.66,;-10.25,-8.32,;-3.95,-13.75,;-2.49,-14.22,;-1.16,-13.45,;.18,-14.22,;.18,-15.76,;-1.16,-16.53,;-2.49,-15.76,;1.51,-13.45,;1.51,-11.91,;2.85,-14.22,;4.18,-13.45,;4.18,-11.91,;5.51,-11.14,;5.51,-9.6,;5.51,-14.22,;5.51,-15.76,;6.85,-16.53,;7.91,-15.61,;8.18,-14.22,;6.85,-13.45,;9.11,-16.3,;8.42,-17.5,;9.8,-15.1,;10.3,-16.99,;11.5,-16.3,)|

Structure