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Target
Nuclear receptor ROR-gamma
Ligand
BDBM392080
Substrate
n/a
Meas. Tech.
ChEMBL_1711310 (CHEMBL4121359)
EC50
202±n/a nM
Citation
 Gege, C; Cummings, MD; Albers, M; Kinzel, O; Kleymann, G; Schlüter, T; Steeneck, C; Nelen, MI; Milligan, C; Spurlino, J; Xue, X; Leonard, K; Edwards, JP; Fourie, A; Goldberg, SD; Hoffmann, T Identification and biological evaluation of thiazole-based inverse agonists of ROR?t. Bioorg Med Chem Lett 28:1446-1455 (2018) [PubMed]  Article
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:
BDBM392080
Synonyms:
US10301272, Example 7/13
Type:
Small organic molecule
Emp. Form.:
C28H37F2N3O6S2
Mol. Mass.:
613.737
SMILES:
Cc1c(OC(F)F)c(ccc1S(=O)(=O)NC(C)(C)C)-c1sc(nc1CC1CCCCC1)C(=O)N[C@H]1C[C@@H](C1)C(O)=O |r,wU:34.36,wD:36.41,(4.81,-4.68,;4.41,-3.19,;2.92,-2.79,;1.83,-3.88,;2.23,-5.37,;3.72,-5.77,;1.14,-6.46,;2.52,-1.3,;3.61,-.21,;5.1,-.61,;5.5,-2.1,;6.98,-2.5,;6.59,-3.99,;8.07,-3.59,;8.07,-1.41,;7.67,.08,;6.19,.48,;7.28,1.57,;8.76,1.17,;1.03,-.9,;.56,.56,;-.98,.56,;-1.46,-.9,;-.21,-1.81,;-.21,-3.35,;-1.55,-4.12,;-2.88,-3.35,;-4.21,-4.12,;-4.21,-5.66,;-2.88,-6.43,;-1.55,-5.66,;-2.07,1.65,;-1.67,3.14,;-3.56,1.25,;-4.65,2.34,;-6.19,2.34,;-6.19,3.88,;-4.65,3.88,;-7.28,4.97,;-6.88,6.46,;-8.76,4.57,)|
Structure:
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