DrugDomain logoDrugDomain

Attributes

UniProt ID
P9WFX9
Protein Name
Tryptophan synthase beta chain
Ligand Name
(2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
DrugBank ID
None
PDB Ligand Accession
HDJ
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OZFKPHFHTNQIQS-XYJFISCASA-N
SMILES
Cc1cc(c(c(c1)F)c2ccc(cc2)C3C(NC3C#N)CF)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 6DWE
Open File
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 atomse6dweA1e6dweB1e6dweB2e6dweC1e6dweD1e6dweD2e6dweE1e6dweF1e6dweF2e6dweG1e6dweH1e6dweH2
ECOD domains from experimental PDB structures interacting with ligand HDJ
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P9WFX9n/aHDJ6dwee6dweB1B:215-408
P9WFX9n/aHDJ6dwee6dweB2B:5-214
P9WFX9n/aHDJ6dwee6dweD1D:9-214
P9WFX9n/aHDJ6dwee6dweD2D:215-407
P9WFX9n/aHDJ6dwee6dweF1F:215-407
P9WFX9n/aHDJ6dwee6dweF2F:9-214
P9WFX9n/aHDJ6dwee6dweH1H:215-407
P9WFX9n/aHDJ6dwee6dweH2H:4-214
P9WFX9n/aHDJ6e9pe6e9pB1B:215-409
P9WFX9n/aHDJ6e9pe6e9pB2B:5-214
P9WFX9n/aHDJ6e9pe6e9pD1D:215-409
P9WFX9n/aHDJ6e9pe6e9pD2D:5-214
P9WFX9n/aHDJ6e9pe6e9pF1F:215-407
P9WFX9n/aHDJ6e9pe6e9pF2F:9-214
P9WFX9n/aHDJ6e9pe6e9pH1H:9-214
P9WFX9n/aHDJ6e9pe6e9pH2H:215-408