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Target
Nuclear receptor ROR-gamma
Ligand
BDBM329651
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zhuang, 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 | 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:
BDBM329651
Synonyms:
US9663515, Compound 7
Type:
Small organic molecule
Emp. Form.:
C30H40F3N3O4S
Mol. Mass.:
595.717
SMILES:
CCOC[C@H](NC(=O)c1cnc2[C@H](CC)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC |r,wU:20.23,4.4,wD:17.16,12.12,(6.93,4.75,;5.6,3.98,;5.6,2.44,;4.26,1.67,;4.26,.13,;2.93,-.64,;1.6,.13,;1.6,1.67,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;-3.87,-2.66,;-4.64,-3.99,;-5.97,-4.76,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)|
Structure:
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