Chemical Components in the PDB

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L12 : Summary

Code

L12

One-letter code

X

Molecule name

3-(2-PYRIDIN-4-YLETHYL)-1H-INDOLE

Synonyms

INHIBITOR OF P38 KINASE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(2-pyridin-4-ylethyl)-1H-indole
OpenEye OEToolkits 1.5.0 3-(2-pyridin-4-ylethyl)-1H-indole

Formula

C15 H14 N2

Formal charge

0

Molecular weight

222.285 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1ccc(cc1)CCc3c2ccccc2nc3
SMILES CACTVS 3.341 C(Cc1c[nH]c2ccccc12)c3ccncc3
SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CCc3ccncc3
Canonical SMILES CACTVS 3.341 C(Cc1c[nH]c2ccccc12)c3ccncc3
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2c(c1)c(c[nH]2)CCc3ccncc3

IUPAC InChI

InChI=1S/C15H14N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,7-11,17H,5-6H2

IUPAC InChI key

UUEYCHLWAOBOHG-UHFFFAOYSA-N
L12

wwPDB Information

Atom count

31 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-09-16

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned