DrugDomain logoDrugDomain

Attributes

UniProt ID
C4IEM5
Protein Name
3-hydroxybutyryl-CoA dehydrogenase
Ligand Name
ACETOACETYL-COENZYME A
DrugBank ID
DB03059
PDB Ligand Accession
CAA
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OJFDKHTZOUZBOS-CITAKDKDSA-N
SMILES
CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*
Structure: 4KUH
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Color Legend
Unassigned regionsLigand / hetero atomse4kuhA1e4kuhA2e4kuhB1e4kuhB2e4kuhC1e4kuhC2e4kuhD1e4kuhD2e4kuhE1e4kuhE2e4kuhF1e4kuhF2e4kuhG1e4kuhG2e4kuhH1e4kuhH2
ECOD domains from experimental PDB structures interacting with ligand DB03059
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
C4IEM5DB03059CAA4kuhe4kuhA1A:1-181
C4IEM5DB03059CAA4kuhe4kuhA2A:182-280
C4IEM5DB03059CAA4kuhe4kuhB2B:182-280
C4IEM5DB03059CAA4kuhe4kuhC1C:1-181
C4IEM5DB03059CAA4kuhe4kuhC2C:182-280
C4IEM5DB03059CAA4kuhe4kuhD2D:182-280
C4IEM5DB03059CAA4kuhe4kuhE1E:1-181
C4IEM5DB03059CAA4kuhe4kuhE2E:182-280
C4IEM5DB03059CAA4kuhe4kuhF1F:1-181
C4IEM5DB03059CAA4kuhe4kuhF2F:182-280
C4IEM5DB03059CAA4kuhe4kuhG2G:182-280
C4IEM5DB03059CAA4kuhe4kuhH1H:1-181
C4IEM5DB03059CAA4kuhe4kuhH2H:182-280