A1LWK

2-(3-oxidanyl-1H-indol-2-yl)indol-3-one

Created:	2024-01-16
Last modified:	2025-01-15

Find Related PDB Entry
1 entries where A1LWK is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	16

2D diagram of A1LWK

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-(3-oxidanyl-1H-indol-2-yl)indol-3-one
Systematic Name (OpenEye OEToolkits)	2-(3-oxidanyl-1~{H}-indol-2-yl)indol-3-one
Formula	C₁₆ H₁₀ N₂ O₂
Molecular Weight	262.263
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O
Canonical SMILES	CACTVS	3.385	Oc1c([nH]c2ccccc12)C3=Nc4ccccc4C3=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c([nH]2)C3=Nc4ccccc4C3=O)O
InChI	InChI	1.06	InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17,19H
InChIKey	InChI	1.06	QQILFGKZUJYXGS-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.