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- ChemComp-CLY: CLINDAMYCIN -

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Basic information

EntryDatabase: PDB chemical components / ID: CLY
NameName: clindamycin
Commentantibiotic*YM

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Chemical information

Composition
Formula: C18H33ClN2O5S / Number of atoms: 60 / Formula weight: 424.983 / Formal charge: 0
Others

1jzx

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: CLY / Model coordinates PDB-ID: 1JZX
History
Create componentSep 18, 2001
Modify descriptorJun 4, 2011
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 10.04ClC(C)C(NC(=O)C1N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O
CACTVS 3.341CCC[CH]1C[CH](N(C)C1)C(=O)N[CH]([CH](C)Cl)[CH]2O[CH](SC)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl

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SMILES CANONICAL

CACTVS 3.341CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0CCC[C@@H]1C[C@H]([N@@](C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl

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InChI

InChI 1.03InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9-,10+,11-,12+,13-,14+,15+,16+,18+/m0/s1

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InChIKey

InChI 1.03KDLRVYVGXIQJDK-AWPVFWJPSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl 7-chloro-6,7,8-trideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-L-threo-alpha-D-galacto-octopyranoside
OpenEye OEToolkits 1.5.0(1R,2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-oxan-2-yl]propyl]-1-methyl-4-propyl-pyrrolidine-2-carboxamide

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PDB entries

Showing all 6 items

PDB-1jzx:
Structural Basis for the Interaction of Antibiotics with the Peptidyl Transferase Center in Eubacteria

PDB-1yjn:
Crystal Structure Of Clindamycin Bound To The G2099A Mutant 50S Ribosomal Subunit Of Haloarcula Marismortui

PDB-3jz0:
LinB complexed with clindamycin and AMPCPP

PDB-4v7v:
Crystal structure of the E. coli ribosome bound to clindamycin.

PDB-8cgd:
Clindamycin bound to the 50S subunit

PDB-9c4g:
Cutibacterium acnes 50S ribosomal subunit with Clindamycin bound

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