DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Cytochrome P450 1A1
Ligand Name
3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
UMCMPZBLKLEWAF-BCTGSCMUSA-N
SMILES
CC(CCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 6DWM
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse6dwmA1e6dwmB1e6dwmC1e6dwmD1
ECOD domains from experimental PDB structures interacting with ligand CPS
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P04798n/aCPS6dwme6dwmA1A:35-512
P04798n/aCPS6dwme6dwmD1D:39-512
P04798n/aCPS6dwne6dwnA1A:37-512
P04798n/aCPS6dwne6dwnB1B:36-512
P04798n/aCPS6udme6udmA1A:37-512