Chemical Components in the PDB

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H0Y : Summary

Code

H0Y

One-letter code

X

Molecule name

6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.7.6 6-[(8E)-8-(1,3-benzothiazol-2-ylhydrazinylidene)-6,7-dihydro-5H-naphthalen-2-yl]pyridine-2-carboxylic acid

Formula

C23 H18 N4 O2 S

Formal charge

0

Molecular weight

414.48 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.370 OC(=O)c1cccc(n1)c2ccc3CCCC(=NNc4sc5ccccc5n4)c3c2
SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)nc(s2)NN=C3CCCc4c3cc(cc4)c5cccc(n5)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)c1cccc(n1)c2ccc3CCC\C(=N/Nc4sc5ccccc5n4)c3c2
Canonical SMILES OpenEye OEToolkits 1.7.6 c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5cccc(n5)C(=O)O
H0Y

wwPDB Information

Atom count

48 (30 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-04

Last modified at

2013-04-19

Status

Released

Obsoleted

Not Assigned