Target
Nuclear receptor ROR-gamma
Ligand
BDBM416434
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DADillard, LWFan, YLotesta, SDSingh, SBTice, CMZhao, WZhuang, 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:
BDBM416434
Synonyms:
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-indole-5-carboxamide1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1s,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-indole-5-carboxamide | US10301261, Compound IN-17.1 | US10301261, Compound IN-17.2 | US10829448, Compound IN-17.2
Type:
Small organic molecule
Emp. Form.:
C28H33F3N2O3S
Mol. Mass.:
534.633
SMILES:
CCn1c(C[C@H]2CC[C@@H](CC2)C(F)(F)F)cc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC |wU:5.4,wD:8.11,(6.52,10.47,;5.01,10.15,;4.53,8.68,;5.44,7.44,;6.98,7.44,;7.75,6.1,;9.29,6.1,;10.06,4.77,;9.29,3.44,;7.75,3.44,;6.98,4.77,;10.06,2.1,;9.29,.77,;10.83,.77,;11.6,2.1,;4.53,6.19,;3.07,6.67,;1.74,5.9,;.4,6.67,;.4,8.21,;1.74,8.98,;3.07,8.21,;-.93,5.9,;-.93,4.36,;-2.26,6.67,;-3.6,5.9,;-4.93,6.67,;-6.27,5.9,;-7.6,6.67,;-7.6,8.21,;-6.27,8.98,;-4.93,8.21,;-8.93,8.98,;-8.16,10.31,;-9.7,7.64,;-10.27,9.75,;-11.6,8.98,)|
Structure:
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