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Target
Nuclear receptor ROR-gamma
Ligand
BDBM351750
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 Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US9796710 Publication Date 10/24/2017 
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:
BDBM351750
Synonyms:
US9796710, Compound 43
Type:
Small organic molecule
Emp. Form.:
C30H43N3O5S
Mol. Mass.:
557.745
SMILES:
CCO[C@H]1CC[C@H](CN2Cc3cc(cnc3[C@@H]2C(C)C)C(=O)N[C@@H](CO)c2ccc(cc2)S(=O)(=O)CC)CC1 |r,wU:3.2,23.24,wD:6.6,16.18,(-11.38,5.37,;-10.61,4.04,;-9.07,4.04,;-8.3,2.7,;-6.76,2.7,;-5.99,1.37,;-6.76,.04,;-5.99,-1.3,;-4.45,-1.3,;-3.55,-.05,;-2.08,-.53,;-.75,.24,;.58,-.53,;.58,-2.07,;-.75,-2.84,;-2.08,-2.07,;-3.55,-2.54,;-3.95,-4.03,;-5.43,-4.43,;-2.86,-5.12,;1.92,.24,;1.92,1.78,;3.25,-.53,;4.59,.24,;4.59,1.78,;5.92,2.55,;5.92,-.53,;7.25,.24,;8.59,-.53,;8.65,-2.15,;7.25,-2.84,;5.92,-2.07,;9.97,-2.93,;9.19,-4.26,;10.76,-1.61,;11.3,-3.72,;12.64,-2.97,;-8.3,.04,;-9.07,1.37,)|
Structure:
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