Target
Nuclear receptor ROR-gamma
Ligand
BDBM362867
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DADillard, LWDong, CFan, YJia, LLotesta, SDMarcus, ASingh, SBTice, CMYuan, JZhao, WZheng, YZhuang, L Isoindoline inhibitors of ROR-gamma US Patent  US9845308 Publication Date 12/19/2017 
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:
BDBM362867
Synonyms:
US9845308, Example 3d
Type:
Small organic molecule
Emp. Form.:
C30H39F3N2O4S
Mol. Mass.:
580.702
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@@H](CO)NC(=O)c1ccc2[C@@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:30.34,21.22,wD:27.27,11.14,(11.54,-2.31,;10.21,-3.08,;8.88,-2.31,;8.11,-3.64,;9.65,-.98,;7.54,-1.54,;6.16,-2.28,;4.83,-1.51,;4.83,.03,;6.16,.8,;7.5,.03,;3.49,.8,;3.49,2.34,;4.83,3.11,;2.16,.03,;.83,.8,;.83,2.34,;-.51,.03,;-.51,-1.51,;-1.84,-2.28,;-3.17,-1.51,;-4.64,-1.99,;-5.04,-3.48,;-6.52,-3.87,;-3.95,-4.56,;-5.54,-.74,;-7.08,-.74,;-7.85,.59,;-7.08,1.93,;-7.85,3.26,;-9.39,3.26,;-10.16,1.93,;-9.39,.59,;-10.16,4.59,;-9.39,5.93,;-11.7,4.59,;-10.93,5.93,;-4.64,.5,;-3.17,.03,;-1.84,.8,)|
Structure:
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