DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Nuclear receptor ROR-gamma
Ligand Name
(S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XUYMIRYNRKXKOR-HMHJJOSWSA-N
SMILES
CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)C(N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5NTW
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Color Legend
Unassigned regionsLigand / hetero atomse5ntwA1e5ntwB1e5ntwC1e5ntwD1
ECOD domains from experimental PDB structures interacting with ligand 98N
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P51449n/a98N5ntwe5ntwA1A:264-508
P51449n/a98N5ntwe5ntwB1B:264-508
P51449n/a98N5ntwe5ntwC1C:264-508
P51449n/a98N5ntwe5ntwD1D:264-508