Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM503457
Substrate
n/a
Meas. Tech.
Fluorescence Based Assay
Kd
24.0±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:
BDBM503457
Synonyms:
5-(4-(Difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)pyridin-3-yl)-1-ethyl-4-methyl-N-(((1r,4r)-4-(methylsulfonyl)cyclohexyl)methyl)-1H-pyrazole-3-carboxamide | US11034658, Example 29
Type:
Small organic molecule
Emp. Form.:
C26H35F5N4O
Mol. Mass.:
514.5743
SMILES:
CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F |r,wU:12.12,wD:9.8,(4.65,-1.25,;3.12,-1.41,;2.21,-.17,;2.69,1.3,;1.44,2.2,;1.44,3.74,;.11,4.51,;2.78,4.51,;2.78,6.05,;4.11,6.82,;5.44,6.05,;6.78,6.82,;6.78,8.36,;8.11,9.13,;5.44,9.13,;4.11,8.36,;.2,1.3,;-1.27,1.77,;.67,-.17,;-.23,-1.41,;.39,-2.82,;-.51,-4.07,;-2.04,-3.9,;-2.95,-5.15,;-2.32,-6.56,;-.92,-5.93,;-3.73,-7.18,;-1.7,-7.96,;-1.07,-9.37,;-.29,-7.34,;-3.1,-8.59,;-2.67,-2.5,;-1.76,-1.25,;-2.39,.16,;-3.92,.32,;-1.92,1.62,)|
Structure:
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