Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM497627
Substrate
n/a
Meas. Tech.
In Vitro Ligand Binding Assay
IC50
5.00±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:
BDBM497627
Synonyms:
(2R)-3-[4-[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]pyrazol-1- yl]propane-1,2-diol | US11008312, Example 122
Type:
Small organic molecule
Emp. Form.:
C27H26F2N6O2
Mol. Mass.:
504.5311
SMILES:
CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(C[C@H](O)CO)c1 |r,THB:8:7:4.5:1,11:12:4.5:1|
Structure:
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