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Attributes

UniProt ID
Protein Name
Beta-ketoacyl- synthase III
Ligand Name
1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZHEDDGBFOGXDOY-UHFFFAOYSA-N
SMILES
c1cc(c(cc1CO)c2ccc(nc2)N3CCC(CC3)C(=O)O)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 5BQS
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Color Legend
Unassigned regionsLigand / hetero atomse5bqsA1e5bqsA2e5bqsB2e5bqsB3
ECOD domains from experimental PDB structures interacting with ligand 4VN
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
C1CIR8n/a4VN5bqse5bqsA1A:175-324
C1CIR8n/a4VN5bqse5bqsA2A:2-174
C1CIR8n/a4VN5bqse5bqsB2B:175-324
C1CIR8n/a4VN5bqse5bqsB3B:2-174