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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50203465
Substrate
n/a
Meas. Tech.
ChEMBL_1625734 (CHEMBL3868203)
IC50
310±n/a nM
Citation
 Ouvry, G; Bouix-Peter, C; Ciesielski, F; Chantalat, L; Christin, O; Comino, C; Duvert, D; Feret, C; Harris, CS; Lamy, L; Luzy, AP; Musicki, B; Orfila, D; Pascau, J; Parnet, V; Perrin, A; Pierre, R; Polge, G; Raffin, C; Rival, Y; Taquet, N; Thoreau, E; Hennequin, LF Discovery of phenoxyindazoles and phenylthioindazoles as ROR¿ inverse agonists. Bioorg Med Chem Lett 26:5802-5808 (2016) [PubMed]  Article 
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:
BDBM50203465
Synonyms:
CHEMBL3929358
Type:
Small organic molecule
Emp. Form.:
C20H10Cl2F2N2O3
Mol. Mass.:
435.208
SMILES:
OC(=O)c1cc(F)c(c(F)c1)-n1nc(Oc2c(Cl)cccc2Cl)c2ccccc12 |(5.25,-19.06,;6.29,-20.19,;7.81,-19.94,;5.75,-21.64,;6.74,-22.82,;6.19,-24.27,;7.17,-25.45,;4.68,-24.52,;3.69,-23.34,;2.18,-23.59,;4.24,-21.89,;4.14,-25.97,;4.99,-27.25,;4.04,-28.45,;4.44,-29.94,;5.93,-30.32,;6.35,-31.81,;5.27,-32.91,;7.84,-32.19,;8.92,-31.09,;8.5,-29.61,;7.01,-29.22,;6.61,-27.74,;2.58,-27.92,;1.22,-28.63,;-.08,-27.81,;-.02,-26.27,;1.36,-25.56,;2.65,-26.38,)|
Structure:
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