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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50595940
Substrate
n/a
Meas. Tech.
ChEMBL_2218664 (CHEMBL5131998)
IC50
6200±n/a nM
Citation
 Meijer, FA; Saris, AOWM; Doveston, RG; Oerlemans, GJM; de Vries, RMJM; Somsen, BA; Unger, A; Klebl, B; Ottmann, C; Cossar, PJ; Brunsveld, L Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor ?t. J Med Chem 64:9238-9258 (2021) [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:
BDBM50595940
Synonyms:
CHEMBL5197924
Type:
Small organic molecule
Emp. Form.:
C23H17ClF3N3O3
Mol. Mass.:
475.848
SMILES:
CN(Cc1c(noc1-c1cc[nH]c1)-c1c(Cl)cccc1C(F)(F)F)c1ccc(cc1)C(O)=O |(75.8,-9.43,;74.66,-10.47,;73.19,-10,;72.86,-8.49,;71.45,-7.87,;71.61,-6.34,;73.11,-6.01,;73.89,-7.35,;75.41,-7.5,;76.19,-8.83,;77.69,-8.5,;77.85,-6.97,;76.44,-6.35,;70.13,-8.64,;70.13,-10.2,;71.47,-10.96,;68.8,-10.97,;67.46,-10.2,;67.46,-8.65,;68.79,-7.88,;68.79,-6.34,;70.12,-5.57,;67.45,-5.58,;68.77,-4.79,;74.98,-11.97,;73.84,-13,;74.16,-14.51,;75.63,-14.98,;76.77,-13.94,;76.44,-12.44,;75.96,-16.48,;77.42,-16.95,;74.82,-17.52,)|
Structure:
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