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53Y : Summary

Code

53Y

One-letter code

X

Molecule name

pyrrolo[1,2-a]quinoxalin-4(5H)-one

Systematic names

ProgramVersionName
ACDLabs 12.01 pyrrolo[1,2-a]quinoxalin-4(5H)-one
OpenEye OEToolkits 1.9.2 5H-pyrrolo[1,2-a]quinoxalin-4-one

Formula

C11 H8 N2 O

Formal charge

0

Molecular weight

184.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c3cc2C(Nc1ccccc1n2c3)=O
SMILES CACTVS 3.385 O=C1Nc2ccccc2n3cccc13
SMILES OpenEye OEToolkits 1.9.2 c1ccc-2c(c1)NC(=O)c3n2ccc3
Canonical SMILES CACTVS 3.385 O=C1Nc2ccccc2n3cccc13
Canonical SMILES OpenEye OEToolkits 1.9.2 c1ccc-2c(c1)NC(=O)c3n2ccc3

IUPAC InChI

InChI=1S/C11H8N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-7H,(H,12,14)

IUPAC InChI key

LINHQLFBBDHSEJ-UHFFFAOYSA-N
53Y

wwPDB Information

Atom count

22 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2015-07-23

Last modified at

2015-11-13

Status

Released

Obsoleted

Not Assigned