DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1ab
Ligand Name
1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KBMBYPWORLDFDP-HHHXNRCGSA-N
SMILES
c1ccc2c(c1)cncc2N3CCCC4(C3=O)CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7GNU
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Color Legend
Unassigned regionsLigand / hetero atomse7gnuA1e7gnuA2e7gnuB1e7gnuB2
ECOD domains from experimental PDB structures interacting with ligand S7U
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTD1n/aS7U7gnue7gnuA1A:1-186
P0DTD1n/aS7U7gnue7gnuA2A:187-306
P0DTD1n/aS7U7gnue7gnuB1B:1-186
P0DTD1n/aS7U7gnue7gnuB2B:187-305