Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416432
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:
BDBM416432
Synonyms:
1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-(((1r,4R)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-indole-5-carboxamide1-ethyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-(((1s,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-indole-5-carboxamide | US10301261, Compound IN-16.1 | US10301261, Compound IN-16.2 | US10829448, Compound IN-16.1
Type:
Small organic molecule
Emp. Form.:
C29H35F3N2O4S
Mol. Mass.:
564.659
SMILES:
CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@@H](CO)c1ccc(cc1)S(=O)(=O)CC |wU:5.4,wD:8.11,25.27,(-5.85,6.52,;-7.36,6.2,;-7.84,4.74,;-6.93,3.49,;-5.39,3.49,;-4.62,2.16,;-3.08,2.16,;-2.31,.82,;-3.08,-.51,;-4.62,-.51,;-5.39,.82,;-2.31,-1.85,;-3.08,-3.18,;-1.54,-3.18,;-.77,-1.85,;-7.84,2.24,;-9.3,2.72,;-10.63,1.95,;-11.97,2.72,;-11.97,4.26,;-10.63,5.03,;-9.3,4.26,;-13.3,1.95,;-13.3,.41,;-14.63,2.72,;-15.97,1.95,;-17.3,2.72,;-18.64,1.95,;-15.97,.41,;-14.63,-.36,;-14.63,-1.9,;-15.97,-2.67,;-17.3,-1.9,;-17.3,-.36,;-15.97,-4.21,;-17.51,-4.21,;-14.43,-4.21,;-15.97,-5.75,;-17.3,-6.52,)|
Structure:
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