3IL

3-(INDOL-3-YL) LACTATE

Created:	2005-09-07
Last modified:	2021-03-01

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3 entries where 3IL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	10

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Chemical Component Summary
Name	3-(INDOL-3-YL) LACTATE
Synonyms	(2S)-2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ N O₃
Molecular Weight	205.21
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(O)Cc2c1ccccc1nc2
SMILES	CACTVS	3.341	O[CH](Cc1c[nH]c2ccccc12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O
Canonical SMILES	CACTVS	3.341	O[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)O
InChI	InChI	1.03	InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
InChIKey	InChI	1.03	XGILAAMKEQUXLS-JTQLQIEISA-N

Drug Info: DrugBank

DrugBank ID	DB07060
Name	3-(INDOL-3-YL) LACTATE
Groups	experimental
Synonyms	3-(INDOL-3-YL) LACTATE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Hydroxyacid oxidase 1	MLPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLY...	unknown
(S)-mandelate dehydrogenase	MSQNLFNVEDYRKLRQKRLPKMVYDYLEGGAEDEYGVKHNRDVFQQWRFK...	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