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Target
Nuclear receptor ROR-gamma
Ligand
BDBM416495
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:
BDBM416495
Synonyms:
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-methoxycyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1s,4s)-4-methoxycyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-46.1 | US10301261, Compound BE-46.2 | US10829448, Compound BE-46.2
Type:
Small organic molecule
Emp. Form.:
C28H35N3O4S
Mol. Mass.:
509.66
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(C[C@H]4CC[C@@H](CC4)OC)nc3c2)cc1 |wU:23.23,wD:26.30,(-11.6,7.64,;-10.27,8.41,;-8.93,7.64,;-8.16,8.98,;-9.7,6.31,;-7.6,6.87,;-7.6,5.33,;-6.27,4.56,;-4.93,5.33,;-3.6,4.56,;-2.26,5.33,;-.93,4.56,;-.93,3.02,;.4,5.33,;.4,6.87,;1.74,7.64,;3.07,6.87,;4.53,7.35,;5.01,8.82,;4.69,10.32,;6.16,9.85,;5.44,6.1,;6.98,6.1,;7.75,4.77,;9.29,4.77,;10.06,3.44,;9.29,2.1,;7.75,2.1,;6.98,3.44,;10.06,.77,;11.6,.77,;4.53,4.86,;3.07,5.33,;1.74,4.56,;-4.93,6.87,;-6.27,7.64,)|
Structure:
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