Target
Nuclear receptor ROR-gamma
Ligand
BDBM317891
Substrate
n/a
Meas. Tech.
Radio-Ligand RORgamma Binding Assay (Assay 1)
Ki
<100±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  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:
BDBM317891
Synonyms:
US10399976, Compound 44 | US10807980, Compound 44 | US11535614, Compound 44 | US9624217, Compound 44
Type:
Small organic molecule
Emp. Form.:
C29H39N3O5S
Mol. Mass.:
541.702
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)|
Structure:
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