Reaction Details
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Nuclear receptor ROR-gamma
Ligand
BDBM50586393
Substrate
n/a
Meas. Tech.
ChEMBL_2168563 (CHEMBL5053622)
Ki
95±n/a nM
Citation
Lugar, CW; Clarke, CA; Morphy, R; Rudyk, H; Sapmaz, S; Stites, RE; Vaught, GM; Furness, K; Broughton, HB; Durst, GL; Clawson, DK; Stout, SL; Guo, SY; Durbin, JD; Stayrook, KR; Edmondson, DD; Kikly, K; New, NE; Bina, HA; Chambers, MG; Shetler, P; Chang, WY; Chang, VC; Barr, R; Gough, WH; Steele, JP; Getman, B; Patel, N; Mathes, BM; Richardson, TI Defining Target Engagement Required for Efficacy J Med Chem 64:5470-5484 (2021) [PubMed] Article More Info.:
Target
Name:
Nuclear receptor ROR-gamma
Synonyms:
Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc) | Nuclear receptor ROR-gamma (RORC) | RORG_HUMAN | RORC | NR1F3 | RORG | RZRG
Type:
Enzyme Catalytic Domain
Mol. Mass.:
58218.40
Organism:
Human
Description:
P51449
Residue:
518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Inhibitor
Name:
BDBM50586393
Synonyms:
CHEMBL5077159
Type:
Small organic molecule
Emp. Form.:
C29H31N3O4S2
Mol. Mass.:
549.72
SMILES:
C[C@@H](N1CCC2(CC1)OCCc1cc(sc21)C(=O)NCc1ccc(cc1)S(C)(=O)=O)c1ccc(cc1)C#N |r|
Structure:
