Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-gamma
LigandBDBM261469
Substrate/Competitorn/a
Meas. Tech.ROR gamma SPA Binding Assay
Temperature298.15±n/a K
IC50 286±n/a nM
Commentsextracted
Citation Duan, JDhar, TGJiang, BKarmakar, AGupta, AKLu, ZWeigelt, CA Cyclohexyl sulfone RORγ modulators US Patent US9708253 Publication Date 7/18/2017
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
Name:Nuclear receptor ROR-gamma
Synonyms:NR1F3 | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:Protein
Mol. Mass.:58218.40
Organism:Homo sapiens (Human)
Description:Q6I9R9
Residue:518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM261469
NameBDBM261469
Synonyms:US9708253, 128
TypeSmall organic molecule
Emp. Form.C26H25F8NO5S2
Mol. Mass.647.598
SMILESFc1ccc(cc1)S(=O)(=O)C1(CCC(CC1)C(=O)N1CCS(=O)(=O)CC1)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F |(-7.34,-.9,;-5.83,-1.17,;-5.3,-2.62,;-3.78,-2.89,;-2.79,-1.71,;-3.32,-.26,;-4.84,.01,;-1.28,-1.97,;-1.55,-3.49,;-1.01,-.46,;.24,-2.24,;1.76,-1.97,;2.74,-3.15,;2.22,-4.6,;.7,-4.87,;-.29,-3.69,;3.21,-5.78,;4.72,-5.51,;2.68,-7.23,;3.67,-8.41,;3.14,-9.85,;1.63,-10.12,;1.84,-11.65,;.48,-11.15,;.64,-8.94,;1.16,-7.5,;.24,-.7,;1.57,.07,;1.57,1.61,;.24,2.38,;-1.1,1.61,;-1.1,.07,;.24,3.92,;.24,5.46,;1.78,3.92,;3.32,3.92,;1.78,2.38,;1.78,5.46,;-1.3,3.92,;-2.84,3.92,;-1.3,5.46,;-1.3,2.38,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a