Attributes
UniProt ID
Protein Name
HTH-type transcriptional repressor KstR
Ligand Name
3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
CJJBDUCNUMWUJX-OFYMOSBZSA-N
SMILES
CC(C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc7N)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.
Structure: 5CXI
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Color Legend
Unassigned regionsLigand / hetero atomse5cxiA1e5cxiA2e5cxiB1e5cxiB2