DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1a
Ligand Name
4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LBLGMVCPRZTJIF-SFHVURJKSA-N
SMILES
c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3CN4CCOCC4)c5ccc(c(c5)Cl)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8GTV
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Color Legend
Unassigned regionsLigand / hetero atomse8gtvA1e8gtvA2e8gtvB1e8gtvB2
ECOD domains from experimental PDB structures interacting with ligand KAE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTC1n/aKAE8gtve8gtvA1A:1-186
P0DTC1n/aKAE8gtve8gtvA2A:187-300
P0DTC1n/aKAE8gtve8gtvB1B:187-300
P0DTC1n/aKAE8gtve8gtvB2B:1-186