Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM490827
Substrate
n/a
Meas. Tech.
ThermoFluor Assay
Kd
31.0±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Kummer, DA; Nishimura, RT; Woods, CR; Wolin, RL; Jones, WM; Fourie, AM; Xue, X Phenyl substituted pyrazoles as modulators of RORγt US Patent  US10975037 Publication Date 4/13/2021 
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:
BDBM490827
Synonyms:
4-Chloro-1-ethyl-5-(2-methoxy-4-((2,2,2-trifluoroethyl)amino)phenyl)-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US10975037, Example 25
Type:
Small organic molecule
Emp. Form.:
C23H30ClF3N4O4S
Mol. Mass.:
551.022
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)S(C)(=O)=O)c(Cl)c1-c1ccc(NCC(F)(F)F)cc1OC |r,wU:9.8,wD:12.15,(-.07,-3.35,;.7,-2.01,;-.07,-.68,;-1.54,-.2,;-1.54,1.33,;-2.87,2.1,;-2.87,3.64,;-4.2,1.33,;-5.54,2.1,;-6.87,1.33,;-6.87,-.2,;-8.2,-.97,;-9.59,-.23,;-9.54,1.33,;-8.2,2.1,;-10.92,-1,;-11.97,.16,;-9.87,-2.17,;-12.45,-1.33,;-.07,1.81,;.7,3.14,;.83,.57,;2.37,.57,;3.14,1.9,;4.68,1.9,;5.45,.57,;6.99,.57,;7.76,-.77,;9.3,-.77,;10.84,-.77,;9.3,-2.31,;9.3,.77,;4.68,-.77,;3.11,-.82,;2.34,-2.15,;3.11,-3.48,)|
Structure:
Search PDB for entries with ligand similarity: