Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM497906
Substrate
n/a
Meas. Tech.
In Vitro Ligand Binding Assay
IC50
5.50±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:
BDBM497906
Synonyms:
(5R,8S)-8-(2-(3-(difluorophenyl)-1H- pyrazol-1-yl)pyrimidin-4-yl)-3-(2,6- difluorophenyl)-9,9-dimethyl-5,6,7,8- tetrahydro-5,8-methanocinnoline | US11008312, Example 376
Type:
Small organic molecule
Emp. Form.:
C25H20F4N6
Mol. Mass.:
480.4601
SMILES:
CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-n1ccc(n1)C(F)F |r,TLB:8:7:1:4.5,11:12:1:4.5|
Structure:
Search PDB for entries with ligand similarity: