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- ChemComp-PZG: [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-puri... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PZG
NameName: [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid

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Chemical information

Composition
Formula: C14H18N7O7P / Number of atoms: 47 / Formula weight: 427.309 / Formal charge: 0
Others

5hbw

DG

Type: DNA linking / PDB classification: ATOMN / Three letter code: PZG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5HBW / Parent comp.: DG
History
Create componentJan 5, 2016
Initial releaseDec 7, 2016
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

CACTVS 3.385Cc1n[nH]cc1[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N
OpenEye OEToolkits 2.0.4Cc1c(c[nH]n1)P(=O)(O)OCC2C(C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O

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SMILES CANONICAL

CACTVS 3.385Cc1n[nH]cc1[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34)N
OpenEye OEToolkits 2.0.4Cc1c(c[nH]n1)P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O

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InChI

InChI 1.03InChI=1S/C14H18N7O7P/c1-5-7(2-17-20-5)29(25,26)27-3-6-9(22)10(23)13(28-6)21-4-16-8-11(21)18-14(15)19-12(8)24/h2,4,6,9-10,13,22-23H,3H2,1H3,(H,17,20)(H,25,26)(H3,15,18,19,24)/t6-,9-,10-,13-/m1/s1

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InChIKey

InChI 1.03KSGRBDIXLOOOHG-ZRFIDHNTSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.4[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-(3-methyl-1~{H}-pyrazol-4-yl)phosphinic acid

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PDB entries

Showing all 4 items

PDB-5hbw:
RNA primer-template complex with 2-methylimidazole-activated monomer analogue

PDB-5hbx:
RNA primer-template complex with 2-methylimidazole-activated monomer analogue-2 binding sites

PDB-5hby:
RNA primer-template complex with 2-methylimidazole-activated monomer analogue-3 binding sites

PDB-5krg:
RNA 15mer duplex binding with PZG monomer

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