Reaction Details  Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM50594740
Substrate
n/a
Meas. Tech.
ChEMBL_2213989 (CHEMBL5127121)
IC50
40±n/a nM
Citation
 Li, Z; Liu, T; He, X; Bai, C The evolution paths of some reprehensive scaffolds of ROR?t modulators, a perspective from medicinal chemistry. Eur J Med Chem 228:0 (2022) [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:
BDBM50594740
Synonyms:
CHEMBL5205826
Type:
Small organic molecule
Emp. Form.:
C23H17ClF4N2O4S
Mol. Mass.:
528.904
SMILES:
Fc1cccc(Cl)c1C(=O)Nc1ccc2OCCN(Cc2c1)S(=O)(=O)c1cccc(c1)C(F)(F)F
Structure:
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