Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-gamma
LigandBDBM332519
Substrate/Competitorn/a
Meas. Tech.Biological Assays
IC50 8.00±n/a nM
Citation Barr, KJBienstock, CEMaclean, JKZhang, HBeresis, RTZhang, DAnthony, NJLapointe, BTTian, Y 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof US Patent US10196354 Publication Date 2/5/2019
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:P51449
Residue:518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM332519
NameBDBM332519
Synonyms:4-(1-(2-chloro-6- cyclopropylbenzoyl)-1H- pyrrolo[3,2-b]pyridin-3-yl)- 3,5-difluorobenzoic acid | US10196354, Example 33D | US9745265, 33D
TypeSmall organic molecule
Emp. Form.C24H15ClF2N2O3
Mol. Mass.452.837
SMILESOC(=O)c1cc(F)c(-c2cn(C(=O)c3c(Cl)cccc3C3CC3)c3cccnc23)c(F)c1 |(2.72,7.05,;1.23,6.65,;.14,7.74,;.83,5.16,;-.66,4.77,;-1.06,3.28,;-2.54,2.88,;.03,2.19,;-.36,.7,;.54,-.54,;-.36,-1.79,;.03,-3.28,;-1.06,-4.37,;1.52,-3.68,;2.61,-2.59,;2.21,-1.1,;4.1,-2.99,;4.5,-4.47,;3.41,-5.56,;1.92,-5.16,;.83,-6.25,;-.66,-6.65,;.43,-7.74,;-1.83,-1.31,;-3.16,-2.08,;-4.5,-1.31,;-4.5,.23,;-3.16,1,;-1.83,.23,;1.52,2.59,;2.61,1.5,;1.92,4.08,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a