DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
S-adenosylmethionine synthase isoform type-2
Ligand Name
8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QHXQQFITXAUNPR-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N2C=C3C=NC(=NC3=C(C2=O)c4ccc(cc4)Br)NCC(F)(F)F
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Structure: 7RWH
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 atomse7rwhA1e7rwhA2e7rwhA3
ECOD domains from experimental PDB structures interacting with ligand 7UI
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P31153n/a7UI7rwhe7rwhA1A:252-395
P31153n/a7UI7rwhe7rwhA2A:126-251
P31153n/a7UI7rwhe7rwhA3A:11-125