ILP

N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE

Created:	2001-07-09
Last modified:	2012-01-05

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2 entries where ILP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	6

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Chemical Component Summary
Name	N-[O-PHOSPHONO-PYRIDOXYL]-ISOLEUCINE
Systematic Name (OpenEye OEToolkits)	(2R,3S)-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-methyl-pentanoic acid
Formula	C₁₄ H₂₃ N₂ O₇ P
Molecular Weight	362.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(C)CC
SMILES	CACTVS	3.385	CC[CH](C)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.5	CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CC[C@H](C)[C@@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC[C@H](C)[C@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12+/m0/s1
InChIKey	InChI	1.03	GZZDWFDWHXPWJK-QPUJVOFHSA-N

Drug Info: DrugBank

DrugBank ID	DB02635
Name	N-[O-Phosphono-Pyridoxyl]-Isoleucine
Groups	experimental
Synonyms	N-[O-Phosphono-Pyridoxyl]-Isoleucine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Branched-chain-amino-acid aminotransferase, mitochondrial	MAAAALGQIWARKLLSVPWLLCGPRRYASSSFKAADLQLEMTQKPHKKPG...	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