DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-ketoacyl- synthase III
Ligand Name
1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JBDGRQUVRNHGJF-UHFFFAOYSA-N
SMILES
c1cc2cc(ccc2nc1)CNC(=O)C3CCN(CC3)c4ccc(cn4)c5cc(ccc5F)CO
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 5BNS
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Color Legend
Unassigned regionsLigand / hetero atomse5bnsA1e5bnsA2e5bnsB1e5bnsB2
ECOD domains from experimental PDB structures interacting with ligand 4VM
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0A6R0n/a4VM5bnse5bnsA1A:1-174
P0A6R0n/a4VM5bnse5bnsA2A:175-317
P0A6R0n/a4VM5bnse5bnsB1B:1-174
P0A6R0n/a4VM5bnse5bnsB2B:175-317