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Target
Nuclear receptor ROR-gamma
Ligand
BDBM497552
Substrate
n/a
Meas. Tech.
In Vitro Ligand Binding Assay
IC50
5.40±n/a nM
Citation
 Bronner, SM; Crawford, JJ; Cridland, A; Cyr, P; Fauber, B; Gancia, E; Gobbi, A; Hurley, C; Killen, J; Lee, W; Rene, O; Van Niel, MB; Ward, S; Winship, P; Zbieg, J Pyridazine derivatives as RORc modulators US Patent  US11008312 Publication Date 5/18/2021 
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:
BDBM497552
Synonyms:
2,2,2-trifluoro-N-[(1R)-1-[2-[6-[(1S,8R)-5- (2,6-difluorophenyl)-11,11-dimethyl-3,4- diazatricyclo[6.2.1.02,7]undeca-2(7),3,5- trien-1-yl]pyrazin-2-yl]oxazol-4- yl]ethyl]ethanamine | US11008312, Example 52
Type:
Small organic molecule
Emp. Form.:
C28H25F5N6O
Mol. Mass.:
556.5297
SMILES:
C[C@@H](NCC(F)(F)F)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:27:28:21.20:37,24:23:21.20:37|
Structure:
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