Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNuclear receptor ROR-gamma
LigandBDBM50541922
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1985558 (CHEMBL4618964)
EC50 11±n/a nM
Citation Cherney, RJCornelius, LAMSrivastava, AWeigelt, CAMarcoux, DDuan, JJShi, QBatt, DGLiu, QYip, SWu, DRRuzanov, MSack, JKhan, JWang, JYarde, MCvijic, MEMathur, ALi, SShuster, DKhandelwal, PBorowski, VXie, JObermeier, MFura, AStefanski, KCornelius, GTino, JAMacor, JESalter-Cid, LDenton, RZhao, QCarter, PHDhar, TGM Discovery of BMS-986251: A Clinically Viable, Potent, and Selective ROR?t Inverse Agonist. ACS Med Chem Lett11:1221-1227 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
Name:Nuclear receptor ROR-gamma
Synonyms:Nr1f3 | Nuclear receptor RZR-gamma | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C | RORG_MOUSE | Retinoid-related orphan receptor-gamma | Rorc | Rorg | TOR | Thor | Thymus orphan receptor
Type:PROTEIN
Mol. Mass.:58133.31
Organism:Mus musculus
Description:ChEMBL_103664
Residue:516
Sequence:
MDRAPQRHHRTSRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQQ
CNVAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQQQQQEQVAKTPPAGSRGADTLTYTLGLSDGQLPLGASPDLPEASACPPGLLRASGS
GPPYSNTLAKTEVQGASCHLEYSPERGKAEGRDSIYSTDGQLTLGRCGLRFEETRHPELG
EPEQGPDSHCIPSFCSAPEVPYASLTDIEYLVQNVCKSFRETCQLRLEDLLRQRTNLFSR
EEVTSYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIILLTAGAMEVVL
VRMCRAYNANNHTVFFEGKYGGVELFRALGCSELISSIFDFSHFLSALCFSEDEIALYTA
LVLINANRPGLQEKRRVEHLQYNLELAFHHHLCKTHRQGLLAKLPPKGKLRSLCSQHVEK
LQIFQHLHPIVVQAAFPPLYKELFSTDVESPEGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50541922
n/a
NameBDBM50541922
Synonyms:Bms-986251
TypeSmall 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
Search PDB for entries with ligand similarity:Similarity to this molecule at least: