Chemical Components in the PDB

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FZB : Summary

Code

FZB

One-letter code

X

Molecule name

3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 3-methyl-8-[[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1~{H}-1,7-naphthyridin-2-one

Formula

C17 H22 N4 O

Formal charge

0

Molecular weight

298.383 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CN1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O)Nc34
SMILES OpenEye OEToolkits 2.0.6 CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C
Canonical SMILES CACTVS 3.385 CN1[C@@H]2CC[C@H]1C[C@@H](C2)Nc3nccc4C=C(C)C(=O)Nc34
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C

IUPAC InChI

InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12-,13-,14+

IUPAC InChI key

HBGWEOSHQILMON-ZSOGYDGISA-N
FZB

wwPDB Information

Atom count

44 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-08-19

Last modified at

2018-09-21

Status

Released

Obsoleted

Not Assigned