Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM261437
Substrate
n/a
Meas. Tech.
ROR gamma SPA Binding Assay
Temperature
298.15±n/a K
IC50
549±n/a nM
Comments
extracted
Citation
 Duan, J; Dhar, TG; Jiang, B; Karmakar, A; Gupta, AK; Lu, Z; Weigelt, CA Cyclohexyl sulfone RORγ modulators US Patent  US9708253 Publication Date 7/18/2017 
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:
BDBM261437
Synonyms:
2-((1s,4s)-4-((4-fluorophenyl)sulfonyl)-4-(4-(perfluoropropan-2-yl)phenyl)cyclohexyl)-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-dione | US9708253, 96
Type:
Small organic molecule
Emp. Form.:
C28H20F8N2O4S
Mol. Mass.:
632.522
SMILES:
Fc1ccc(cc1)S(=O)(=O)[C@@]1(CC[C@@H](CC1)N1C(=O)c2ccncc2C1=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |r,wU:13.17,wD:10.30,(-5.57,-6.34,;-4.39,-5.35,;-2.95,-5.88,;-1.77,-4.89,;-2.04,-3.37,;-3.48,-2.85,;-4.66,-3.84,;-.86,-2.38,;.13,-3.56,;-1.85,-1.2,;.32,-1.39,;1.09,-2.73,;2.63,-2.73,;3.4,-1.39,;2.63,-.06,;1.09,-.06,;4.94,-1.39,;5.85,-2.64,;5.37,-4.1,;7.31,-2.16,;8.65,-2.93,;9.98,-2.16,;9.98,-.62,;8.65,.15,;7.31,-.62,;5.85,-.15,;5.37,1.32,;-.86,-.4,;-.59,1.11,;-1.77,2.1,;-3.22,1.58,;-3.48,.06,;-2.3,-.93,;-4.39,2.57,;-5.57,3.56,;-3.4,3.75,;-2.42,4.92,;-2.23,2.76,;-4.58,4.74,;-5.38,1.39,;-6.37,.21,;-6.56,2.38,;-4.21,.4,)|
Structure:
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