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Attributes

UniProt ID
Protein Name
Threonine--tRNA ligase
Ligand Name
(2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BLRJMFLSHHBCFQ-XBBWARJSSA-N
SMILES
CC(C(C(=O)N(CCCCCN1C=Nc2cc(c(cc2C1=O)Cl)Br)Cc3cccc(c3)c4ccc5c(c4)CNC5=O)N)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7WM7
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Color Legend
Unassigned regionsLigand / hetero atomse7wm7A1e7wm7A2e7wm7B1e7wm7B2
ECOD domains from experimental PDB structures interacting with ligand 9I6
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
V7II86n/a9I67wm7e7wm7A1A:242-532
V7II86n/a9I67wm7e7wm7B1B:241-532