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- BIRD-PRD_000503: ADEP1 -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000503
StatusStatus: REF ONLY
NameADEP1

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BIRD information

TypeCyclic depsipeptide / Antibiotic
DownloadsMolecular definition / Chemical definition / Family definition
Synonyms
  • Acyldepsipeptide 1 (PDB)
Annotation
  • Function: Antibtioic / Info source: Norine
  • Function: Activator of ATP-dependent ClpP, EC: 3.4.21.92EC: Activator of ATP-dependent ClpP, EC: 3.4.21.92 / Info source: PubMed: 20305655
Source
External info
FamilyAcyldepsipeptide

ADEP1 / ADEP2

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Chemical information

Composition
Formula: C38H50N6O8 / Formula weight: 718.839
OthersType: peptide-like
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(\C=C\C=C\C=C/C)NC(C(=O)NC1C(=O)N3C(C(=O)N(C)C(C(=O)NC(C(=O)N2C(C(=O)OC1)CC(C)C2)C)C)CCC3)Cc4ccccc4
CACTVS 3.370CC=CC=CC=CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH]2COC(=O)[CH]3C[CH](C)CN3C(=O)[CH](C)NC(=O)[CH](C)N(C)C(=O)[CH]4CCCN4C2=O
OpenEye OEToolkits 1.7.6CC=CC=CC=CC(=O)NC(Cc1ccccc1)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C(N(C(=O)C4CCCN4C2=O)C)C)C)C

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SMILES CANONICAL

CACTVS 3.370C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]4CCCN4C2=O
OpenEye OEToolkits 1.7.6C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]4CCCN4C2=O)C)C)C)C

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InChI

InChI 1.03InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)

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InChIKey

InChI 1.03ZGRSXMWWGUOTAO-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01Nalpha-[(2E,4E,6E)-octa-2,4,6-trienoyl]-N-[(2S,6S,9R,11aS,17S,20aS)-2,6,9,10-tetramethyl-5,8,11,16,20-pentaoxohexadecahydro-1H,5H,16H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-17-yl]-L-phenylalaninamide #

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PDB entries

Showing all 6 items

PDB-3kti:
Structure of ClpP in complex with ADEP1

PDB-3mt6:
Structure of ClpP from Escherichia coli in complex with ADEP1

PDB-5dkp:
Crystal Structure of N. meningitidis ClpP in complex with agonist ADEP A54556.

PDB-7fep:
Cryo-EM structure of BsClpP-ADEP1 complex at pH 6.5

PDB-7fer:
Cryo-EM structure of BsClpP-ADEP1 complex at pH 4.2

PDB-8xop:
Cryo-EM structure of ClpP1P2 in complex with ADEP1 from Streptomyces hawaiiensis

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