Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM362883
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
550±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:
BDBM362883
Synonyms:
US9845308, Example 11b
Type:
Small organic molecule
Emp. Form.:
C28H36F3N3O4S
Mol. Mass.:
567.663
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[C@@H](C(C)C)N(CC4CC[C@](O)(CC4)C(F)(F)F)Cc3c2)nc1 |r,wU:17.17,26.30,wD:26.26,(11.79,2.32,;10.7,1.24,;9.21,1.63,;8.81,.15,;9.61,3.12,;7.73,2.03,;7.27,3.53,;5.79,3.93,;4.7,2.84,;3.21,3.24,;2.12,2.15,;.63,2.55,;.24,4.04,;-.45,1.46,;.02,-0,;-1.01,-1.15,;-2.52,-.82,;-3.76,-1.73,;-3.76,-3.27,;-2.43,-4.04,;-5.1,-4.04,;-5.01,-.82,;-6.5,-1.22,;-7.58,-.13,;-9.07,-.53,;-10.16,.56,;-9.76,2.04,;-11.25,2.44,;-8.27,2.44,;-7.18,1.35,;-10.16,3.53,;-11.65,3.93,;-9.07,4.62,;-8.67,3.13,;-4.53,.64,;-2.99,.64,;-1.96,1.78,;5.1,1.36,;6.58,.96,)|
Structure:
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