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GNK : Summary

Code

GNK

One-letter code

X

Molecule name

(1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one

Formula

C15 H18 Cl N O

Formal charge

0

Molecular weight

263.763 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc(CCN2[CH]3CC[CH]2CC(=O)C3)cc1
SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CCN2C3CCC2CC(=O)C3)Cl
Canonical SMILES CACTVS 3.385 Clc1ccc(CCN2[C@H]3CC[C@@H]2CC(=O)C3)cc1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(ccc1CCN2[C@@H]3CC[C@H]2CC(=O)C3)Cl

IUPAC InChI

InChI=1S/C15H18ClNO/c16-12-3-1-11(2-4-12)7-8-17-13-5-6-14(17)10-15(18)9-13/h1-4,13-14H,5-10H2/t13-,14+

IUPAC InChI key

UHYXSJKYMROJDA-OKILXGFUSA-N
GNK

wwPDB Information

Atom count

36 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-09-28

Last modified at

2019-02-22

Status

Released

Obsoleted

Not Assigned