FII

[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID

Created:	1999-10-27
Last modified:	2021-03-01

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12 entries where FII is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	0

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Chemical Component Summary
Name	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
Synonyms	FPP ANALOG
Systematic Name (OpenEye OEToolkits)	[2-oxo-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]amino]ethyl]phosphonic acid
Formula	C₁₇ H₃₀ N O₅ P
Molecular Weight	359.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(=O)(O)O
SMILES	CACTVS	3.341	CC(C)=CCCC(C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C
Canonical SMILES	CACTVS	3.341	CC(C)=CCC\C(C)=C\CC\C(C)=C\CONC(=O)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=CCC/C(=C/CC/C(=C/CONC(=O)CP(=O)(O)O)/C)/C)C
InChI	InChI	1.03	InChI=1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
InChIKey	InChI	1.03	JAOBYUCYSAOLHS-XGGJEREUSA-N

Drug Info: DrugBank

DrugBank ID	DB07771
Name	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID
Groups	experimental
Synonyms	[(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action
GTPase KRas	MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGET...	unknown
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASP...	unknown
Protein farnesyltransferase subunit beta	MASPSSFTYYCPPSSSPVWSEPLYSLRPEHARERLQDDSVETVTSIEQAK...	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