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Target
Nuclear receptor ROR-gamma
Ligand
BDBM359543
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
0.600±n/a nM
Citation
 Lapointe, BT; Fuller, PH; Gunaydin, H; Liu, K; Sciammetta, N; Trotter, BW; Zhang, H; Barr, KJ; Maclean, JK; Molinari, DF; Simov, V Substituted pyrazole compounds as RORgammaT inhibitors and uses thereof US Patent  US10221142 Publication Date 3/5/2019 
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:
BDBM359543
Synonyms:
4-[(6R or S)-1-({2- chloro-6-[1- (trifluoromethyl)cyclo- propyl]phenyl}car- bonyl)-6-(1-oxa-7- azaspiro[4.4]non-7- ylcarbonyl)-4,5,6,7- tetrahydro-1H- indazol-3-yl]-3- fluorobenzoic acid | US10221142, Example 21I
Type:
Small organic molecule
Emp. Form.:
C33H30ClF4N3O5
Mol. Mass.:
660.055
SMILES:
OC(=O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C3(CC3)C(F)(F)F)c3CC(CCc23)C(=O)N2CCC3(CCCO3)C2)c(F)c1
Structure:
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