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Target
Nuclear receptor ROR-gamma
Ligand
BDBM491717
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
3.30±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Kummer, DA; Nishimura, RT; Fourie, AM; Xue, X 6-aminopyridin-3-yl pyrazoles as modulators of RORgT US Patent  US10975057 Publication Date 4/13/2021 
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:
BDBM491717
Synonyms:
5-(4-(Difluoromethoxy)-6-((4,4,4-trifluoro-2-methylbutan-2-yl)amino)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-4-methyl-1H-pyrazole-3-carboxamide | US10975057, Example 1
Type:
Small organic molecule
Emp. Form.:
C26H36F5N5O5S
Mol. Mass.:
625.652
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)S(C)(=O)=O)c(C)c1-c1cnc(NC(C)(C)CC(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.16,(-.72,-2.72,;.19,-1.47,;-.44,-.06,;-1.95,.26,;-2.11,1.79,;-3.44,2.56,;-3.44,4.1,;-4.77,1.79,;-6.11,2.56,;-7.44,1.79,;-7.44,3.33,;-7.44,.25,;-8.78,-.52,;-10.16,.22,;-10.11,1.79,;-8.78,2.56,;-11.49,-.55,;-10.13,-1.33,;-12.85,.23,;-11.49,-2.12,;-.7,2.41,;-.38,3.92,;.33,1.27,;1.82,1.67,;2.22,3.16,;3.7,3.56,;4.79,2.47,;6.28,2.86,;7.37,1.78,;7.77,.29,;6.28,.69,;5.86,1.46,;5.39,-.01,;4.91,-1.47,;3.92,.47,;6.85,-.48,;4.39,.98,;2.89,.53,;2.49,-.96,;3.58,-2.05,;5.12,-2.13,;3.18,-3.54,)|
Structure:
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