DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Protease
Ligand Name
N~2~-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetyl]-N-({2-[(Z)-iminomethyl]pyrimidin-4-yl}methyl)-L-isoleucinamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XBUAFLLXSYLZPV-GKZFGAONSA-N
SMILES
CCC(C)C(C(=O)NCc1ccnc(n1)C=N)NC(=O)C(c2cc(cc(c2)Cl)Cl)N(C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4PIS
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Color Legend
Unassigned regionsLigand / hetero atomse4pisA1
ECOD domains from experimental PDB structures interacting with ligand 3FU
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
B9A5C1n/a3FU4pise4pisA1A:1-204