IPL

INDOLE-3-PROPANOL PHOSPHATE

Created:	2000-06-30
Last modified:	2011-06-04

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5 entries where IPL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	10

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Chemical Component Summary
Name	INDOLE-3-PROPANOL PHOSPHATE
Systematic Name (OpenEye OEToolkits)	3-(1H-indol-3-yl)propyl dihydrogen phosphate
Formula	C₁₁ H₁₄ N O₄ P
Molecular Weight	255.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCCCc2c1ccccc1nc2
SMILES	CACTVS	3.341	O[P](O)(=O)OCCCc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)OCCCc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)c(c[nH]2)CCCOP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
InChIKey	InChI	1.03	NKEZSFZOUIIZFL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03171
Name	Indole-3-Propanol Phosphate
Groups	experimental
Synonyms	Indole-3-Propanol Phosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
Tryptophan synthase alpha chain	MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL...	unknown
Tryptophan synthase beta chain	MTTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLK...	unknown
Tryptophan synthase alpha chain	MTTLEAFAKARSEGRAALIPYLTAGFPSREGFLQAVEEVLPYADLLEIGL...	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