Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM497554
Substrate
n/a
Meas. Tech.
In Vitro Ligand Binding Assay
IC50
4.20±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
More Info.:
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:
BDBM497554
Synonyms:
(1S,8R)-5-(2,6-difluorophenyl)-1-[6-[1-(2- ethylsulfonylethyl)pyrazol-4-yl]pyrazin-2- yl]-11,11-dimethyl-3,4- diazatricyclo[6.2.1.02,7]undeca-2(7),3,5- triene | US11008312, Example 54
Type:
Small organic molecule
Emp. Form.:
C28H28F2N6O2S
Mol. Mass.:
550.623
SMILES:
CCS(=O)(=O)CCn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:26:27:20.19:36,23:22:20.19:36|