Target
Nuclear receptor ROR-gamma
Ligand
BDBM497234
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DADillard, LWDong, CFan, YLotesta, SDMarcus, ASingh, SBTice, CMYuan, JZhao, WZhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US11001583 Publication Date 5/11/2021
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 | 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:
BDBM497234
Synonyms:
US11001583, Compound 7
Type:
Small organic molecule
Emp. Form.:
C31H42F3N3O4S
Mol. Mass.:
609.743
SMILES:
CCOC[C@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC |r,wU:4.4,21.24,wD:12.12,18.17,(6.93,4.75,;5.6,3.98,;5.6,2.44,;4.26,1.67,;4.26,.13,;2.93,-.64,;1.6,.13,;1.6,1.67,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;-3.87,-2.65,;-4.34,-4.12,;-5.85,-4.44,;-3.31,-5.26,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.07,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.07,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.2,;8.27,-.64,;6.93,.13,;9.65,-2.97,;8.88,-4.31,;10.42,-1.64,;10.98,-3.74,;12.31,-2.97,)|
Structure:
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