Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM536414
Substrate
n/a
Meas. Tech.
Gal4 Ligand Binding Assay
IC50
<50±n/a nM
Citation
 Mohan, R; Nuss, J; Harris, J; Yuan, S Spirocyclic ROR-gamma modulators US Patent  US11242350 Publication Date 2/8/2022 
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:
BDBM536414
Synonyms:
US11242350, Example 85
Type:
Small organic molecule
Emp. Form.:
C27H30F8N2O3S
Mol. Mass.:
614.591
SMILES:
CCc1cc(ccc1-c1c(F)cc(CN2CC3(C2)CN(C3)S(C)(=O)=O)c(F)c1C(C)C)C(O)(C(F)(F)F)C(F)(F)F |(-7.39,.95,;-5.85,.95,;-5.08,-.38,;-5.85,-1.72,;-5.08,-3.05,;-3.54,-3.05,;-2.77,-1.72,;-3.54,-.38,;-2.77,.95,;-3.54,2.28,;-5.08,2.28,;-2.77,3.62,;-1.23,3.62,;-.46,4.95,;1.08,4.95,;2.17,3.86,;3.26,4.95,;2.17,6.04,;4.35,6.04,;5.44,4.95,;4.35,3.86,;6.98,4.95,;8.52,4.95,;6.98,3.41,;6.98,6.49,;-.46,2.28,;1.08,2.28,;-1.23,.95,;-.46,-.38,;-1.23,-1.72,;1.08,-.38,;-5.85,-4.39,;-6.62,-5.72,;-7.18,-3.62,;-6.41,-2.28,;-7.95,-4.95,;-8.52,-2.85,;-4.52,-5.16,;-3.75,-3.82,;-5.29,-6.49,;-3.18,-5.93,)|
Structure:
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