TIO

(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE

Created:	1999-12-20
Last modified:	2021-03-01

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2 entries where TIO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	1
Bond Count	32
Aromatic Bond Count	6

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Chemical Component Summary
Name	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE
Synonyms	THIORPHAN
Systematic Name (OpenEye OEToolkits)	2-[[(2S)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]ethanoic acid
Formula	C₁₂ H₁₅ N O₃ S
Molecular Weight	253.317
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CNC(=O)C(CS)Cc1ccccc1
SMILES	CACTVS	3.341	OC(=O)CNC(=O)[CH](CS)Cc1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC(CS)C(=O)NCC(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C[C@H](CS)C(=O)NCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
InChIKey	InChI	1.03	LJJKNPQAGWVLDQ-SNVBAGLBSA-N

Drug Info: DrugBank

DrugBank ID	DB08626
Name	Thiorphan
Groups	experimental
Description	A potent inhibitor of membrane metalloendopeptidase (enkephalinase). Thiorphan potentiates morphine-induced analgesia and attenuates naloxone-precipitated withdrawal symptoms.
Synonyms	Thiorphan
Categories	Amino Acids Amino Acids, Peptides, and Proteins Amino Acids, Sulfur Enzyme Inhibitors N-substituted Glycines Protease Inhibitors Sulfur Compounds
CAS number	76721-89-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Neprilysin	MGKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYA...	unknown	inhibitor

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