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Target
Nuclear receptor ROR-gamma
Ligand
BDBM50541924
Substrate
n/a
Meas. Tech.
ChEMBL_1985551 (CHEMBL4618957)
EC50
39±n/a nM
Citation
 Cherney, RJ; Cornelius, LAM; Srivastava, A; Weigelt, CA; Marcoux, D; Duan, JJ; Shi, Q; Batt, DG; Liu, Q; Yip, S; Wu, DR; Ruzanov, M; Sack, J; Khan, J; Wang, J; Yarde, M; Cvijic, ME; Mathur, A; Li, S; Shuster, D; Khandelwal, P; Borowski, V; Xie, J; Obermeier, M; Fura, A; Stefanski, K; Cornelius, G; Tino, JA; Macor, JE; Salter-Cid, L; Denton, R; Zhao, Q; Carter, PH; Dhar, TGM Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR?t Inverse Agonist. ACS Med Chem Lett 11:1221-1227 (2020) [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:
BDBM50541924
Synonyms:
CHEMBL4642568
Type:
Small organic molecule
Emp. Form.:
C30H29F8NO5S
Mol. Mass.:
667.607
SMILES:
[H][C@@]12CCc3cc(ccc3[C@@]1(CCN2C(=O)[C@@H]1CC[C@H](C[C@H]1C)C(O)=O)S(=O)(=O)c1ccc(F)cc1)C(F)(C(F)(F)F)C(F)(F)F |r|
Structure:
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