DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Replicase polyprotein 1a
Ligand Name
(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
VFDRLCYAHUFIDR-ZYRLFZHTSA-N
SMILES
CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7Z0P
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Color Legend
Unassigned regionsLigand / hetero atomse7z0pAAA1e7z0pAAA2
ECOD domains from experimental PDB structures interacting with ligand I8H
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTC1n/aI8H7z0pe7z0pAAA1AAA:187-304
P0DTC1n/aI8H7z0pe7z0pAAA2AAA:1-186