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LR2 : Summary

Code

LR2

One-letter code

X

Molecule name

~{N}-pyridin-2-yl-2-selanyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-pyridin-2-yl-2-selanyl-benzamide

Formula

C12 H10 N2 O Se

Formal charge

0

Molecular weight

277.181 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 [SeH]c1ccccc1C(=O)Nc2ccccn2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]
Canonical SMILES CACTVS 3.385 [SeH]c1ccccc1C(=O)Nc2ccccn2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(c(c1)C(=O)Nc2ccccn2)[SeH]

IUPAC InChI

InChI=1S/C12H10N2OSe/c15-12(9-5-1-2-6-10(9)16)14-11-7-3-4-8-13-11/h1-8,16H,(H,13,14,15)

IUPAC InChI key

IIISTDSZDJBBTA-UHFFFAOYSA-N
LR2

wwPDB Information

Atom count

26 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-09-02

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned