DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Thiamine thiazole synthase
Ligand Name
(2E)-2-[(2S,4R)-5-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-3-oxidanylidene-pentan-2-yl]iminoethanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
DLIOKNCFMMUGKN-VGULMVRRSA-N
SMILES
CC(C(=O)C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O)N=CC(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4Y4L
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Color Legend
Unassigned regionsLigand / hetero atomse4y4lA1e4y4lB1e4y4lC1e4y4lD1
ECOD domains from experimental PDB structures interacting with ligand 48N
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P32318n/a48N4y4le4y4lA1A:22-325
P32318n/a48N4y4le4y4lB1B:22-326
P32318n/a48N4y4le4y4lC1C:23-325
P32318n/a48N4y4le4y4lD1D:22-325