Attributes
UniProt ID
Protein Name
Tryptophan synthase beta chain
Ligand Name
(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
RECLLIAWOQFAMC-ULQDDVLXSA-N
SMILES
c1ccc(c(c1)c2ccc(cc2)C3C(NC3C#N)CO)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5TCI
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Color Legend
Unassigned regionsLigand / hetero atomse5tciA1e5tciB1e5tciB2e5tciC1e5tciD1e5tciD2e5tciE1e5tciF1e5tciF2e5tciG1e5tciH1e5tciH2
ECOD domains from experimental PDB structures interacting with ligand 79V
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P9WFX9 | n/a | 79V | 5tci | e5tciB1 | B:215-409 |
| P9WFX9 | n/a | 79V | 5tci | e5tciB2 | B:5-214 |
| P9WFX9 | n/a | 79V | 5tci | e5tciD1 | D:215-407 |
| P9WFX9 | n/a | 79V | 5tci | e5tciD2 | D:10-214 |
| P9WFX9 | n/a | 79V | 5tci | e5tciF1 | F:215-407 |
| P9WFX9 | n/a | 79V | 5tci | e5tciF2 | F:9-214 |
| P9WFX9 | n/a | 79V | 5tci | e5tciH1 | H:4-214 |
| P9WFX9 | n/a | 79V | 5tci | e5tciH2 | H:215-409 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjB1 | B:215-407 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjB2 | B:9-214 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjD1 | D:215-407 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjD2 | D:9-214 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjF1 | F:215-407 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjF2 | F:9-214 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjH1 | H:7-214 |
| P9WFX9 | n/a | 79V | 5tcj | e5tcjH2 | H:215-407 |