Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503438
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
3.20±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:
BDBM503438
Synonyms:
4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 10
Type:
Small organic molecule
Emp. Form.:
C25H32ClF5N4O3
Mol. Mass.:
566.992
SMILES:
CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F |r,wU:9.8,wD:9.9,13.13,(-1.48,-2.3,;-2.11,-.9,;-1.2,.35,;-1.68,1.81,;-.43,2.72,;-.43,4.26,;.9,5.03,;-1.76,5.03,;-1.76,6.57,;-3.1,7.34,;-2.99,5.8,;-4.64,7.29,;-5.45,8.59,;-4.73,9.95,;-5.55,11.26,;-3.19,10.01,;-2.37,8.7,;.82,1.81,;2.28,2.29,;.34,.35,;1.25,-.9,;.62,-2.3,;1.52,-3.55,;3.06,-3.39,;3.96,-4.63,;3.33,-6.04,;4.74,-6.67,;1.93,-5.41,;2.71,-7.45,;2.08,-8.85,;4.12,-8.07,;1.3,-6.82,;3.68,-1.98,;2.78,-.74,;3.4,.67,;4.93,.83,;5.56,2.24,;5.84,-.41,)|
Structure:
Search PDB for entries with ligand similarity: