FTR

FLUOROTRYPTOPHANE

Created:	1999-07-08
Last modified:	2024-09-27

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43 entries where FTR is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	10

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Chemical Component Summary
Name	FLUOROTRYPTOPHANE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
Formula	C₁₁ H₁₁ F N₂ O₂
Molecular Weight	222.216
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)Cc2c1cc(F)ccc1nc2
SMILES	CACTVS	3.341	N[CH](Cc1c[nH]c2ccc(F)cc12)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1F)c(c[nH]2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1F)c(c[nH]2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
InChIKey	InChI	1.03	INPQIVHQSQUEAJ-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank ID	DB03314
Name	5-fluorotryptophan
Groups	experimental
Description	5-fluorotryptophan can be used as substrate analogue to study enzyme mechanisms by NMR spectroscopy.
Synonyms	5-fluorotryptophan Fluorotryptophane L-5-fluorotryptophan 5-fluoro-L-tryptophan
Categories	Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Peptides, and Proteins Carbon Radioisotopes
CAS number	16626-02-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Triosephosphate isomerase	MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNW...	unknown
Glutathione S-transferase Mu 1	MPMILGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...	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