Attributes
UniProt ID
Protein Name
NS3 protease
Ligand Name
(1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
TWUMYENOHGWFCN-UHFFFAOYSA-N
SMILES
[B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 2XNI
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Color Legend
Unassigned regionsLigand / hetero atomse2xni.3e2xniA1