DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NSMAAPODQLIULZ-HFJWLAOPSA-N
SMILES
CC(c1ccc(cc1)[N+](=O)[O-])NC(=O)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 7GNO
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Color Legend
Unassigned regionsLigand / hetero atomse7gnoA1e7gnoA2e7gnoB1e7gnoB2
ECOD domains from experimental PDB structures interacting with ligand S3X
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aS3X7gnoe7gnoA1A:1-186
P0DTD1n/aS3X7gnoe7gnoA2A:187-306
P0DTD1n/aS3X7gnoe7gnoB1B:187-305
P0DTD1n/aS3X7gnoe7gnoB2B:1-186