Target
Nuclear receptor ROR-gamma
Ligand
BDBM317922
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
>1000±n/a nM
Citation
 Claremon, DADillard, LWDong, CFan, YJia, LLiu, ZLotesta, SDMarcus, ASingh, SBTice, CMYuan, JZhao, WZheng, YZhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US9624217 Publication Date 4/18/2017 
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:
BDBM317922
Synonyms:
US10807980, Compound 75 | US11535614, Compound 75 | US9624217, Compound 75
Type:
Small organic molecule
Emp. Form.:
C28H34F3N3O3
Mol. Mass.:
517.5831
SMILES:
COC(=O)[C@H]1CC[C@H](CNC(=O)c2cnc3[C@H](C(C)C)N(Cc4ccc(cc4)C(F)(F)F)Cc3c2)CC1 |r,wU:7.7,wD:16.16,4.3,(10.93,-.65,;10.93,-2.19,;9.6,-2.96,;9.6,-4.5,;8.27,-2.19,;8.27,-.65,;6.93,.12,;5.6,-.65,;4.26,.12,;2.93,-.65,;1.6,.12,;1.6,1.66,;.26,-.65,;.26,-2.19,;-1.07,-2.96,;-2.4,-2.19,;-3.87,-2.67,;-4.27,-4.16,;-5.75,-4.56,;-3.18,-5.25,;-4.77,-1.42,;-6.31,-1.42,;-7.08,-.09,;-6.31,1.24,;-7.08,2.58,;-8.62,2.58,;-9.39,1.24,;-8.62,-.09,;-9.39,3.91,;-8.62,5.25,;-10.93,3.91,;-10.16,5.25,;-3.87,-.18,;-2.4,-.65,;-1.07,.12,;5.6,-2.19,;6.93,-2.96,)|
Structure:
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