Brand  (β version)

PDB ID: 6CN6

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
F7J 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1h-indol-5-yl}benzamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 6CN6   PDBj   RCSB PDB   PDBe
Header : SIGNALING PROTEIN
Title : RORC2 LBD complexed with compound 34
Release Data : 2018-09-05
Compound :
mol_id molecule chains synonym
1 Nuclear receptor ROR-gamma A Nuclear receptor RZR-gamma,Nuclear receptor subfamily 1 group F member 3,RAR-related orphan receptor C,Retinoid-related orphan receptor-gamma
fragment: ligand binding domain
mutation: C278S, C345S
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: RORC, NR1F3, RORG, RZRG
Authors : Kauppi, B., Vajdos, F.
Keywords : Nuclear receptor, SIGNALING PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.4500 Å )
Citation :

Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.

Schnute, M.E.,Wennerstal, M.,Alley, J.  et al.
(2018)  J. Med. Chem.  61 : 10415 - 10439

PubMed: 30130103
DOI: 10.1021/acs.jmedchem.8b00392

Reaction

Chain : A
UniProt : P51449 (RORG_HUMAN)
Reaction : -