Chemical Components in the PDB

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LXA : Summary

Code

LXA

One-letter code

X

Molecule name

~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide

Formula

C11 H13 N3 O2

Formal charge

0

Molecular weight

219.24 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COCC(=O)NCc1[nH]c2ccccc2n1
SMILES OpenEye OEToolkits 2.0.6 COCC(=O)NCc1[nH]c2ccccc2n1
Canonical SMILES CACTVS 3.385 COCC(=O)NCc1[nH]c2ccccc2n1
Canonical SMILES OpenEye OEToolkits 2.0.6 COCC(=O)NCc1[nH]c2ccccc2n1

IUPAC InChI

InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)

IUPAC InChI key

LZINBAGZNCYRNQ-UHFFFAOYSA-N
LXA

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-03-15

Last modified at

2020-04-24

Status

Released

Obsoleted

Not Assigned