DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Genome polyprotein
Ligand Name
(1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JSGPAIBYTVNGSI-ZBBLQTOUSA-N
SMILES
CN1CCCC(C1=O)C(=O)NC2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)C4(CC4C=C)NC(=O)C5CC(CN5C2=O)OC(=O)N6Cc7cccc(c7C6)F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 4A92
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Color Legend
Unassigned regionsLigand / hetero atomse4a92A5e4a92A6e4a92A7e4a92A8e4a92B5e4a92B6e4a92B7e4a92B8
ECOD domains from experimental PDB structures interacting with ligand F9K
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P26663n/aF9K4a92e4a92A5A:485-625
P26663n/aF9K4a92e4a92A8A:-13-183
P26663n/aF9K4a92e4a92B5B:485-625
P26663n/aF9K4a92e4a92B8B:-13-181