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Target
Nuclear receptor ROR-gamma
Ligand
BDBM332517
Substrate
n/a
Meas. Tech.
Biochemical TR-FRET Assay
IC50
5.00±n/a nM
Citation
 Barr, KJ; Bienstock, CE; Maclean, JK; Zhang, H; Beresis, RT; Zhang, D; Anthony, NJ; Lapointe, BT; Tian, Y 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof US Patent  US9745265 Publication Date 8/29/2017 
Target
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:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQCNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGSGPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELGEPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSREEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVLVRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTALVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEKLQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
  
Inhibitor
Name:
BDBM332517
Synonyms:
4-(1-(2-chloro-6- cyclopropylbenzoyl)-1H- indazol-3-yl)-3,5- difluorobenzoic acid | US10196354, Example 33B | US9745265, 33B
Type:
Small organic molecule
Emp. Form.:
C24H15ClF2N2O3
Mol. Mass.:
452.837
SMILES:
OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3ccccc23)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:
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