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Attributes

UniProt ID
Protein Name
Adenosine 5'-monophosphoramidase HINT1
Ligand Name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[[(2S)-3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-sulfanyl-phosphoryl]oxyethyl]oxolane-3,4-diol
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OABPMBSLNAAXBR-CZUYOEIMSA-N
SMILES
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CCOP(=O)(OCC(COP(=O)(OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)S)O)S)O)O)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4ZKL
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Color Legend
Unassigned regionsLigand / hetero atomse4zklA1e4zklB1e4zklC1e4zklD1
ECOD domains from experimental PDB structures interacting with ligand JB6
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P49773n/aJB64zkle4zklA1A:15-126
P49773n/aJB64zkle4zklB1B:13-126
P49773n/aJB64zkle4zklC1C:15-126
P49773n/aJB64zkle4zklD1D:14-126