A1ALA

1H-indol-6-amine

Created:	2024-04-08
Last modified:	2024-06-12

Find Related PDB Entry
1 entries where A1ALA 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	18
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	10

2D diagram of A1ALA

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1H-indol-6-amine
Systematic Name (OpenEye OEToolkits)	1~{H}-indol-6-amine
Formula	C₈ H₈ N₂
Molecular Weight	132.163
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Nc1ccc2cc[NH]c2c1
SMILES	CACTVS	3.385	Nc1ccc2cc[nH]c2c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1cc[nH]2)N
Canonical SMILES	CACTVS	3.385	Nc1ccc2cc[nH]c2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1cc[nH]2)N
InChI	InChI	1.06	InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
InChIKey	InChI	1.06	MIMYTSWNVBMNRH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	256096

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.