DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Thiamine thiazole synthase
Ligand Name
2-[(E)-[(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-ylidene]amino]ethanoic acid
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IOANXAZHBCZCOH-NTPWJJDISA-N
SMILES
CC(=NCC(=O)O)C(=O)C(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7RK0
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Color Legend
Unassigned regionsLigand / hetero atomse7rk0A1e7rk0B1e7rk0C1e7rk0D1
ECOD domains from experimental PDB structures interacting with ligand 48H
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
E8T346n/a48H7rk0e7rk0A1A:3-263
E8T346n/a48H7rk0e7rk0B1B:3-264
E8T346n/a48H7rk0e7rk0C1C:2-264
E8T346n/a48H7rk0e7rk0D1D:3-264