Attributes
UniProt ID
Protein Name
Methylxanthine N1-demethylase NdmA
Ligand Name
CAFFEINE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES
Cn1cnc2c1C(=O)N(C(=O)N2C)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6ICN
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Color Legend
Unassigned regionsLigand / hetero atomse6icnA1e6icnA2e6icnB1e6icnB2e6icnC1e6icnC2
ECOD domains from experimental PDB structures interacting with ligand DB00201