FPS

S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE

Created:	2005-03-16
Last modified:	2021-03-01

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30 entries where FPS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	1
Bond Count	51
Aromatic Bond Count	0

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Chemical Component Summary
Name	S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE
Synonyms	FARNESYL THIOPYROPHOSPHATE
Systematic Name (OpenEye OEToolkits)	phosphonooxy-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-phosphinic acid
Formula	C₁₅ H₂₈ O₆ P₂ S
Molecular Weight	398.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.5	CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C)C
Canonical SMILES	CACTVS	3.385	CC(C)=CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
InChI	InChI	1.03	InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+
InChIKey	InChI	1.03	MYMLCRQRXFRQGP-YFVJMOTDSA-N

Drug Info: DrugBank

DrugBank ID	DB04695
Name	Farnesyl thiopyrophosphate
Groups	experimental
Synonyms	Farnesyl thiodiphosphate Farnesyl thiopyrophosphate
Categories	Organophosphates Organophosphorus Compounds Potential QTc-Prolonging Agents QTc Prolonging Agents Terpenes

Drug Targets

Name	Target Sequence	Pharmacological Action
Geranylgeranyl pyrophosphate synthase	MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIII...	unknown
Mevalonate kinase	MLSEVLLVSAPGKVILHGEHAVVHGKVALAVSLNLRTFLRLQPHSNGKVD...	unknown
Dehydrosqualene synthase	MTMMDMNFKYCHKIMKKHSKSFSYAFDLLPEDQRKAVWAIYAVCRKIDDS...	unknown
Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific)	MMLSATQPLSEKLPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSV...	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