Attributes
UniProt ID
Protein Name
NS3 protease
Ligand Name
(2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YOHPIODWEANJQZ-UYLSUIKTSA-N
SMILES
Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)C(C(C)(C)C)NC(=O)C)C(=O)NS(=O)(=O)C6(CC6)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6DIR
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Color Legend
Unassigned regionsLigand / hetero atomse6dirA1
ECOD domains from experimental PDB structures interacting with ligand GKA
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0B4WYC6 | n/a | GKA | 6dir | e6dirA1 | A:982-1179 |
| A0A0B4WYC6 | n/a | GKA | 6div | e6divA1 | A:982-1179 |