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Target
Nuclear receptor ROR-gamma
Ligand
BDBM332516
Substrate
n/a
Meas. Tech.
Biological Assays
IC50
8.00±n/a nM
Citation
 Barr, KJ; Bienstock, CE; Maclean, JK; Zhang, H; Beresis, RT; Zhang, D; Anthony, NJ; Lapointe, BT; Tian, Y 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof US Patent  US10196354 Publication Date 2/5/2019 
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:
BDBM332516
Synonyms:
4-(1-(2-chloro-6-cyclopropylbenzoyl)-1H-pyrazolo[4,3-b]pyridin-3-yl)-3,5-difluorobenzoic acid | US10196354, Example 33A | US9745265, 33A
Type:
Small organic molecule
Emp. Form.:
C23H14ClF2N3O3
Mol. Mass.:
453.825
SMILES:
OC(=O)c1cc(F)c(-c2nn(C(=O)c3c(Cl)cccc3C3CC3)c3cccnc23)c(F)c1 |(8.53,-.51,;7.04,-.91,;5.95,.18,;6.64,-2.4,;7.73,-3.49,;7.33,-4.98,;8.42,-6.07,;5.84,-5.38,;5.45,-6.86,;6.35,-8.11,;5.45,-9.35,;5.84,-10.84,;4.76,-11.93,;7.33,-11.24,;8.42,-10.15,;8.02,-8.66,;9.91,-10.55,;10.31,-12.04,;9.22,-13.13,;7.73,-12.73,;6.64,-13.82,;5.15,-14.22,;6.24,-15.3,;3.98,-8.88,;2.65,-9.65,;1.31,-8.88,;1.31,-7.34,;2.65,-6.57,;3.98,-7.34,;4.76,-4.29,;3.27,-4.68,;5.15,-2.8,)|
Structure:
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