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Target
Nuclear receptor ROR-gamma
Ligand
BDBM416531
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Fan, Y; Lotesta, SD; Singh, SB; Tice, CM; Zhao, W; Zhuang, L Substituted benzoimidazoles as modulators of ROR-γ US Patent  US10829448 Publication Date 11/10/2020 
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RORG_HUMAN | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Homo sapiens (Human)
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM416531
Synonyms:
3-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-3H-imidazo[4,5-b]pyridine-6-carboxamide | US10301261, Compound AB-1.1 | US10829448, Compound AB-1.2
Type:
Small organic molecule
Emp. Form.:
C27H31F3N4O3S
Mol. Mass.:
548.62
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1 |wU:23.23,wD:26.30,(-11.6,.25,;-10.27,-.52,;-8.93,.25,;-9.7,1.59,;-8.16,-1.08,;-7.6,1.02,;-6.27,.25,;-4.93,1.02,;-4.93,2.56,;-3.6,3.33,;-2.26,2.56,;-.93,3.33,;-.93,4.87,;.4,2.56,;.4,1.02,;1.74,.25,;3.07,1.02,;4.53,.55,;5.01,-.92,;6.16,-1.95,;4.69,-2.42,;5.44,1.79,;6.98,1.79,;7.75,.46,;9.29,.46,;10.06,-.87,;9.29,-2.21,;7.75,-2.21,;6.98,-.87,;10.06,-3.54,;9.29,-4.87,;10.83,-4.87,;11.6,-3.54,;4.53,3.04,;3.07,2.56,;1.74,3.33,;-6.27,3.33,;-7.6,2.56,)|
Structure:
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