DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Squalene--hopene cyclase
Ligand Name
N-{6-[4-(6-BROMO-1,2-BENZISOTHIAZOL-3-YL)PHENOXY]HEXYL}-N-METHYL-2-PROPEN-1-AMINE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZHDHSBKTLRLUCQ-UHFFFAOYSA-N
SMILES
CN(CCCCCCOc1ccc(cc1)c2c3ccc(cc3sn2)Br)CC=C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 1H3B
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Color Legend
Unassigned regionsLigand / hetero atomse1h3bA1e1h3bA2e1h3bB1e1h3bB2e1h3bC1e1h3bC2
ECOD domains from experimental PDB structures interacting with ligand R46
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P33247n/aR461h3be1h3bA1A:10-36,A:308-629
P33247n/aR461h3be1h3bA2A:37-307
P33247n/aR461h3be1h3bB1B:10-36,B:308-629
P33247n/aR461h3be1h3bB2B:37-307
P33247n/aR461h3be1h3bC1C:10-36,C:308-629
P33247n/aR461h3be1h3bC2C:37-307