TSC

(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL

Created:	2005-08-09
Last modified:	2011-06-04

Find Related PDB Entry
2 entries where TSC is covalently linked to polymer or other heterogen groups

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

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	25
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	10

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL
Systematic Name (OpenEye OEToolkits)	(1S)-1-amino-2-(1H-indol-3-yl)ethanol
Formula	C₁₀ H₁₂ N₂ O
Molecular Weight	176.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(N)Cc2c1ccccc1nc2
SMILES	CACTVS	3.341	N[CH](O)Cc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CC(N)O
Canonical SMILES	CACTVS	3.341	N[C@@H](O)Cc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](N)O
InChI	InChI	1.03	InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1
InChIKey	InChI	1.03	WNWJSYYPDDQIQV-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB08649
Name	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL
Groups	experimental
Synonyms	(1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aralkylamine dehydrogenase light chain	MRWLDKFGESLSRSVAHKTSRRSVLRSVGKLMVGSAFVLPVLPVARAAGG...	unknown
Aralkylamine dehydrogenase heavy chain	MKSKFKLTTAAAMLGLMVLAGGAQAQDKPREVLTGGHSVSAPQENRIYVM...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682