BUE

NerylNeryl pyrophosphate

Created:	2017-10-13
Last modified:	2018-02-07

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1 entries where BUE is found as a standalone ligand2 entries where BUE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	0

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Chemical Component Summary
Name	NerylNeryl pyrophosphate
Systematic Name (OpenEye OEToolkits)	phosphono 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl hydrogen phosphate
Formula	C₂₀ H₃₆ O₇ P₂
Molecular Weight	450.443
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
Canonical SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C
InChI	InChI	1.03	InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
InChIKey	InChI	1.03	OINNEUNVOZHBOX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07841
Name	Geranylgeranyl diphosphate
Groups	experimental
Synonyms	Geranylgeranyl diphosphate
Categories	Organophosphates Organophosphorus Compounds Phosphate salts Potential QTc-Prolonging Agents QTc Prolonging Agents Terpenes

Drug Targets

Name	Target Sequence	Pharmacological Action
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASP...	unknown
Geranylgeranyl transferase type-1 subunit beta	MAATEDERLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTI...	unknown
Protein farnesyltransferase subunit beta	MASPSSFTYYCPPSSSPVWSEPLYSLRPEHARERLQDDSVETVTSIEQAK...	unknown
Geranylgeranyl pyrophosphate synthase	MEKTQETVQRILLEPYKYLLQLPGKQVRTKLSQAFNHWLKVPEDKLQIII...	unknown
Farnesyl pyrophosphate synthase	MPLSRWLRSVGVFLLPAPYWAPRERWLGSLRRPSLVHGYPVLAWHSARCW...	unknown
Geranylgeranyl transferase type-2 subunit alpha	MHGRLKVKTSEEQAEAKRLEREQKLKLYQSATQAVFQKRQAGELDESVLE...	unknown
Geranylgeranyl transferase type-2 subunit beta	MGTPQKDVIIKSDAPDTLLLEKHADYIASYGSKKDDYEYCMSEYLRMSGI...	unknown
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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