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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50570323
Substrate
n/a
Meas. Tech.
ChEMBL_2111954 (CHEMBL4820804)
EC50
2.2±n/a nM
Citation
 Yang, MG; Beaudoin-Bertrand, M; Xiao, Z; Marcoux, D; Weigelt, CA; Yip, S; Wu, DR; Ruzanov, M; Sack, JS; Wang, J; Yarde, M; Li, S; Shuster, DJ; Xie, JH; Sherry, T; Obermeier, MT; Fura, A; Stefanski, K; Cornelius, G; Khandelwal, P; Karmakar, A; Basha, M; Babu, V; Gupta, AK; Mathur, A; Salter-Cid, L; Denton, R; Zhao, Q; Dhar, TGM Tricyclic-Carbocyclic ROR?t Inverse Agonists-Discovery of BMS-986313. J Med Chem 64:2714-2724 (2021) [PubMed]  Article 
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:
BDBM50570323
Synonyms:
CHEMBL4862214
Type:
Small organic molecule
Emp. Form.:
C30H32F8N2O4S
Mol. Mass.:
668.638
SMILES:
[H][C@@]12CCc3cc(ccc3[C@@]1(CC[C@H]2NC(=O)C(C)(C)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Structure:
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