Chemical Components in the PDB

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2ZU : Summary

Code

2ZU

One-letter code

X

Molecule name

2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline

Systematic names

ProgramVersionName
ACDLabs 12.01 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline
OpenEye OEToolkits 1.7.6 2-methyl-5-(quinolin-2-ylmethoxy)-1,3-benzothiazole

Formula

C18 H14 N2 O S

Formal charge

0

Molecular weight

306.382 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C
SMILES CACTVS 3.385 Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1
SMILES OpenEye OEToolkits 1.7.6 Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3
Canonical SMILES CACTVS 3.385 Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1
Canonical SMILES OpenEye OEToolkits 1.7.6 Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3

IUPAC InChI

InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3

IUPAC InChI key

DZPJYJCYZZYODA-UHFFFAOYSA-N
2ZU

wwPDB Information

Atom count

36 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-09-23

Last modified at

2014-05-09

Status

Released

Obsoleted

Not Assigned