Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503483
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
30.0±n/a nM
Citation
 Goldberg, S; Martin, CL; Fennema, EG; Wolin, RL; Fourie, AM; Xue, X Pyridinyl pyrazoles as modulators of RORγT US Patent  US11034658 Publication Date 6/15/2021 
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:
BDBM503483
Synonyms:
4-Chloro-1-ethyl-5-(4-ethyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 55
Type:
Small organic molecule
Emp. Form.:
C26H36ClF3N4O2
Mol. Mass.:
529.038
SMILES:
CCc1cc(CC(C)(C)C(F)(F)F)ncc1-c1c(Cl)c(nn1CC)C(=O)NC[C@@]1(O)CC[C@H](C)CC1 |r,wU:28.29,wD:28.30,32.34,(1.69,-4.18,;1.07,-2.77,;-.47,-2.61,;-1.37,-3.85,;-2.9,-3.69,;-3.81,-4.94,;-3.18,-6.34,;-4.59,-6.97,;-1.77,-5.72,;-2.55,-7.75,;-1.93,-9.16,;-3.96,-8.38,;-1.15,-7.13,;-3.53,-2.29,;-2.62,-1.04,;-1.09,-1.2,;-.19,.05,;-.66,1.51,;-2.13,1.99,;.58,2.42,;1.83,1.51,;1.35,.05,;2.26,-1.2,;3.79,-1.04,;.58,3.96,;-.75,4.73,;1.92,4.73,;1.92,6.27,;3.25,7.04,;3.14,5.5,;2.53,8.39,;3.34,9.7,;4.88,9.65,;5.7,10.95,;5.61,8.29,;4.79,6.98,)|
Structure:
Search PDB for entries with ligand similarity: