Attributes
UniProt ID
Protein Name
S-adenosylmethionine synthase isoform type-2
Ligand Name
2-(7-chloro-5-phenyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LYLASWLQCMKZAT-UHFFFAOYSA-N
SMILES
CN(C)CCc1nnc2n1c3ccc(cc3c(c2)c4ccccc4)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5UGH
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Color Legend
Unassigned regionsLigand / hetero atomse5ughA1e5ughA2e5ughA3e5ughB1e5ughB2e5ughB3e5ughC1e5ughC2e5ughC3e5ughD1e5ughD2e5ughD3
ECOD domains from experimental PDB structures interacting with ligand 8AJ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31153 | n/a | 8AJ | 5ugh | e5ughA1 | A:126-251 |
| P31153 | n/a | 8AJ | 5ugh | e5ughA2 | A:252-395 |
| P31153 | n/a | 8AJ | 5ugh | e5ughA3 | A:12-125 |
| P31153 | n/a | 8AJ | 5ugh | e5ughB1 | B:11-125 |
| P31153 | n/a | 8AJ | 5ugh | e5ughB2 | B:126-251 |
| P31153 | n/a | 8AJ | 5ugh | e5ughB3 | B:252-395 |
| P31153 | n/a | 8AJ | 5ugh | e5ughC1 | C:252-395 |
| P31153 | n/a | 8AJ | 5ugh | e5ughC2 | C:14-125 |
| P31153 | n/a | 8AJ | 5ugh | e5ughC3 | C:126-251 |
| P31153 | n/a | 8AJ | 5ugh | e5ughD2 | D:252-395 |
| P31153 | n/a | 8AJ | 5ugh | e5ughD3 | D:126-251 |