Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-gamma
LigandBDBM332511
Substrate/Competitorn/a
Meas. Tech.Biochemical TR-FRET Assay
IC50 6.00±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 US9745265 Publication Date 8/29/2017
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
Name:Nuclear receptor ROR-gamma
Synonyms:Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:PROTEIN
Mol. Mass.:58133.31
Organism:Mus musculus
Description:ChEMBL_103664
Residue:516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQ
CNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGS
GPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELG
EPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSR
EEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVL
VRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTA
LVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEK
LQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM332511
n/a
NameBDBM332511
Synonyms:4-(5-acetamido-1-(2-chloro-6-(trifluoromethyl)-benzoyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-fluorobenzoic acid (30A) and 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-5-(methylamino)-1H-pyrrolo[2,3-c]pyridin-3-yl)-3-fluorobenzoic acid (30B) | US10196354, Example 30A | US9745265, 30A
TypeSmall organic molecule
Emp. Form.C24H14ClF4N3O4
Mol. Mass.519.832
SMILESCC(=O)Nc1cc2c(cn(C(=O)c3c(Cl)cccc3C(F)(F)F)c2cn1)-c1ccc(cc1F)C(O)=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: