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Attributes

UniProt ID
Protein Name
Cytochrome P450 3A4
Ligand Name
tert-butyl [(2S)-1-({3-oxo-3-[(pyridin-3-ylmethyl)amino]propyl}sulfanyl)-3-phenylpropan-2-yl]carbamate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MVQZDJDMEHCEJW-FQEVSTJZSA-N
SMILES
CC(C)(C)OC(=O)NC(Cc1ccccc1)CSCCC(=O)NCc2cccnc2
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4D78
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Color Legend
Unassigned regionsLigand / hetero atomse4d78A1
ECOD domains from experimental PDB structures interacting with ligand J9K
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P08684n/aJ9K4d78e4d78A1A:27-475