Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM332526
Substrate
n/a
Meas. Tech.
Biological Assays
IC50
225±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  US10196354 Publication Date 2/5/2019 
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:
BDBM332526
Synonyms:
4-(6-(2-(azetidin-1-yl)-2- oxoethyl)-1-(2-chloro-6- (trifluoromethyl)benzoyl)- 1H-pyrazolo[4,3-b]pyridin- 3-yl)-3-fluorobenzoic acid | US10196354, Example 37B | US9745265, 37B
Type:
Small organic molecule
Emp. Form.:
C26H17ClF4N4O4
Mol. Mass.:
560.884
SMILES:
OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3cc(CC(=O)N4CCC4)cnc23)c(F)c1
Structure:
Search PDB for entries with ligand similarity: