DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Beta-secretase 1
Ligand Name
(4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MJQMRGWYPNIERM-HNNXBMFYSA-N
SMILES
CC1(CCSC(=N1)N)c2cc(c(cc2F)F)c3cncnc3
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4YBI
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Color Legend
Unassigned regionsLigand / hetero atomse4ybiA1e4ybiA2e4ybiB1e4ybiB2
ECOD domains from experimental PDB structures interacting with ligand DB13065
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P56817DB130654B24ybie4ybiA1A:184-385
P56817DB130654B24ybie4ybiA2A:-3-183
P56817DB130654B24ybie4ybiB1B:184-385
P56817DB130654B24ybie4ybiB2B:-2-183