Chemical Components in the PDB

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PPZ : Summary

Code

PPZ

One-letter code

X

Molecule name

2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO-ETHANOL

Systematic names

ProgramVersionName
ACDLabs 10.04 2-(pyrido[1,2-e]purin-4-ylamino)ethanol
OpenEye OEToolkits 1.5.0 2-(purino[9,8-a]pyridin-4-ylamino)ethanol

Formula

C11 H11 N5 O

Formal charge

0

Molecular weight

229.238 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OCCNc3ncnc2c3nc1ccccn12
SMILES CACTVS 3.341 OCCNc1ncnc2n3ccccc3nc12
SMILES OpenEye OEToolkits 1.5.0 c1ccn2c(c1)nc3c2ncnc3NCCO
Canonical SMILES CACTVS 3.341 OCCNc1ncnc2n3ccccc3nc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccn2c(c1)nc3c2ncnc3NCCO

IUPAC InChI

InChI=1S/C11H11N5O/c17-6-4-12-10-9-11(14-7-13-10)16-5-2-1-3-8(16)15-9/h1-3,5,7,17H,4,6H2,(H,12,13,14)

IUPAC InChI key

QBILBVYKWQWDQJ-UHFFFAOYSA-N
PPZ

wwPDB Information

Atom count

28 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-03-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned