Target
Nuclear receptor ROR-gamma
Ligand
BDBM329658
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DADillard, LWDong, CFan, YLotesta, SDMarcus, ASingh, SBTice, CMYuan, JZhao, WZhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US9663515 Publication Date 5/30/2017
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 | 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:
BDBM329658
Synonyms:
US11001583, Compound 14 | US9663515, Compound 14
Type:
Small organic molecule
Emp. Form.:
C31H40F3N3O6S
Mol. Mass.:
639.726
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@H](COCC(O)=O)NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1 |r,wU:31.31,11.18,wD:34.38,25.26,(12.31,-2.95,;10.98,-3.72,;9.65,-2.95,;8.88,-4.28,;10.42,-1.61,;8.31,-2.18,;6.93,-2.92,;5.6,-2.15,;5.6,-.61,;6.93,.16,;8.27,-.61,;4.26,.16,;4.26,1.7,;2.93,2.47,;2.93,4.01,;1.6,4.78,;1.6,6.32,;.26,4.01,;2.93,-.61,;1.6,.16,;1.6,1.7,;.26,-.61,;.26,-2.15,;-1.07,-2.92,;-2.4,-2.15,;-3.87,-2.62,;-4.64,-3.96,;-5.97,-4.73,;-3.87,-5.29,;-4.77,-1.38,;-6.31,-1.38,;-7.08,-.04,;-8.62,-.04,;-9.39,1.29,;-8.62,2.62,;-7.08,2.62,;-6.31,1.29,;-9.39,3.96,;-8.62,5.29,;-10.93,3.96,;-10.16,5.29,;-3.87,-.13,;-2.4,-.61,;-1.07,.16,)|
Structure:
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