Target
Nuclear receptor ROR-gamma
Ligand
BDBM329657
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
550±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:
BDBM329657
Synonyms:
US11001583, Compound 13 | US9663515, Compound 13
Type:
Small organic molecule
Emp. Form.:
C29H37F3N4O5S
Mol. Mass.:
610.688
SMILES:
CC[C@H]1N(C[C@H]2CC[C@@H](CC2)C(F)(F)F)Cc2cc(cnc12)C(=O)N[C@@H](COC(N)=O)c1ccc(cc1)S(=O)(=O)CC |r,wU:8.11,25.27,2.1,wD:5.4,(-5.97,-4.76,;-4.64,-3.99,;-3.87,-2.66,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.08,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.08,;-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,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;1.6,.13,;1.6,1.67,;2.93,-.64,;4.26,.13,;4.26,1.67,;5.6,2.44,;5.6,3.98,;6.93,4.75,;4.27,4.75,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.21,;8.27,-.64,;6.93,.13,;9.65,-2.98,;8.88,-4.31,;10.42,-1.64,;10.98,-3.75,;12.31,-2.98,)|
Structure:
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