DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Collagenase 3
Ligand Name
N-[(3R)-1,1-dioxidotetrahydro-2H-thiopyran-3-yl]-4-(4-{[(3S)-3-hydroxy-1-azabicyclo[2.2.2]oct-3-yl]ethynyl}phenoxy)benzamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IOEYWFCDGXVEFG-KCWPFWIISA-N
SMILES
c1cc(ccc1C#CC2(CN3CCC2CC3)O)Oc4ccc(cc4)C(=O)NC5CCCS(=O)(=O)C5
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4A7B
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Color Legend
Unassigned regionsLigand / hetero atomse4a7bA1e4a7bB1
ECOD domains from experimental PDB structures interacting with ligand 3W4
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P45452n/a3W44a7be4a7bB1B:104-269