Reaction Details
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Nuclear receptor ROR-gamma
Ligand
BDBM50537154
Substrate
n/a
Meas. Tech.
ChEMBL_1935804 (CHEMBL4481563)
EC50
56±n/a nM
Citation
Kotoku, M; Maeba, T; Fujioka, S; Yokota, M; Seki, N; Ito, K; Suwa, Y; Ikenogami, T; Hirata, K; Hase, Y; Katsuda, Y; Miyagawa, N; Arita, K; Asahina, K; Noguchi, M; Nomura, A; Doi, S; Adachi, T; Crowe, P; Tao, H; Thacher, S; Hashimoto, H; Suzuki, T; Shiozaki, M Discovery of Second Generation ROR? Inhibitors Composed of an Azole Scaffold. J Med Chem 62:2837-2842 (2019) [PubMed] Article More Info.:
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:
BDBM50537154
Synonyms:
CHEMBL4581769
Type:
Small organic molecule
Emp. Form.:
C25H28ClN4NaO4S
Mol. Mass.:
539.022
SMILES:
[Na;v0+].[#6]-[#6](-[#6])-[#6]-c1nnc(s1)-c1onc(-[#6@@H](-[#6]-[#6]-[#6](-[#8-])=O)-[#6]-[#6](=O)-[#7]-c2ccc(-[#6])cc2Cl)c1-[#6]-1-[#6]-[#6]-1 |r|
Structure:
