Attributes
UniProt ID
Protein Name
Major pollen allergen Bet v 1-A
Ligand Name
(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BHJMBPMSJMEWOB-MWMDWWONSA-N
SMILES
CC1CSC2C(CC1C(=O)O)C(=O)c3ccncc3C2=O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 4MNS
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Color Legend
Unassigned regionsLigand / hetero atomse4mnsA1