DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Daunorubicin-doxorubicin polyketide synthase
Ligand Name
(3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
WYVQKYVITQEIME-ZDUSSCGKSA-N
SMILES
CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC1(COC1)CC(=O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5WGC
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Color Legend
Unassigned regionsLigand / hetero atomse5wgcA1e5wgcA2e5wgcB2e5wgcB3
ECOD domains from experimental PDB structures interacting with ligand AFY
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q54816n/aAFY5wgce5wgcA1A:184-350
Q54816n/aAFY5wgce5wgcA2A:9-179
Q54816n/aAFY5wgce5wgcB2B:184-350
Q54816n/aAFY5wgce5wgcB3B:8-179