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Target
Nuclear receptor ROR-gamma
Ligand
BDBM317986
Substrate
n/a
Meas. Tech.
Radio-Ligand RORgamma Binding Assay (Assay 1)
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Liu, Z; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US10807980 Publication Date 10/20/2020 
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:
BDBM317986
Synonyms:
US10399976, Compound 139 | US10807980, Compound 139 | US11535614, Compound 139 | US9624217, Compound 139
Type:
Small organic molecule
Emp. Form.:
C28H34F3N3O3
Mol. Mass.:
517.5831
SMILES:
CC(C)[C@@H]1N(Cc2ccc(cc2)C(F)(F)F)Cc2cc(cnc12)C(=O)NC[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:27.29,wD:3.2,30.33,(-6.42,-4.56,;-4.93,-4.16,;-3.84,-5.25,;-4.54,-2.67,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;.93,.12,;.93,1.66,;2.26,-.65,;3.6,.12,;4.93,-.65,;6.27,.12,;7.6,-.65,;7.6,-2.19,;8.93,-2.96,;10.27,-2.19,;11.6,-2.96,;10.27,-.65,;6.27,-2.96,;4.93,-2.19,)|
Structure:
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