DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Baculoviral IAP repeat-containing protein 2
Ligand Name
(3S,6S,7S,9aS,3'S,6'S,7'S,9a'S)-N,N'-(benzene-1,4-diylbis{butane-4,1-diyl-1H-1,2,3-triazole-1,4-diyl[(S)-phenylmethanediyl]})bis[7-(hydroxymethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide]
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XKEIDWZKJDOBEL-OKDMWEIPSA-N
SMILES
CCC(C(=O)NC1C(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4cn(nn4)CCCCc5ccc(cc5)CCCCn6cc(nn6)C(c7ccccc7)NC(=O)C8CCC9N8C(=O)C(C(CC9)CO)NC(=O)C(CC)NC)CO)NC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4EB9
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Color Legend
Unassigned regionsLigand / hetero atomse4eb9A1e4eb9B1e4eb9C1e4eb9D1
ECOD domains from experimental PDB structures interacting with ligand 0O6
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q13490n/a0O64eb9e4eb9A1A:244-345
Q13490n/a0O64eb9e4eb9B1B:244-344
Q13490n/a0O64eb9e4eb9C1C:244-345
Q13490n/a0O64eb9e4eb9D1D:254-356