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Target
Nuclear receptor ROR-gamma
Ligand
BDBM362876
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Dong, C; Fan, Y; Jia, L; Lotesta, SD; Marcus, A; Singh, SB; Tice, CM; Yuan, J; Zhao, W; Zheng, Y; Zhuang, 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:
BDBM362876
Synonyms:
(S)-2-((-4-ethoxycyclohexyl)methyl)-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-1-isopropylisoindoline-5-carboxamide (8a) and (8b) | US9845308, Example 8a
Type:
Small organic molecule
Emp. Form.:
C31H44N2O5S
Mol. Mass.:
556.756
SMILES:
CCO[C@H]1CC[C@H](CN2Cc3cc(ccc3[C@@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1 |r,wU:23.24,3.2,wD:16.18,6.6,(-12.47,12.13,;-11.7,10.8,;-10.16,10.8,;-9.39,9.46,;-7.85,9.46,;-7.08,8.13,;-7.85,6.8,;-7.08,5.46,;-5.54,5.46,;-4.64,6.71,;-3.17,6.23,;-1.84,7,;-.51,6.23,;-.51,4.69,;-1.84,3.92,;-3.17,4.69,;-4.64,4.22,;-5.04,2.73,;-6.52,2.33,;-3.95,1.64,;.83,7,;.83,8.54,;2.16,6.23,;3.49,7,;3.49,8.54,;4.83,9.31,;4.83,6.23,;4.83,4.69,;6.16,3.92,;7.54,4.67,;7.5,6.23,;6.16,7,;8.88,3.9,;8.11,2.56,;9.65,5.23,;10.21,3.13,;11.54,3.9,;-9.39,6.8,;-10.16,8.13,)|
Structure:
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