B3P

2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL

Created:	1999-10-15
Last modified:	2011-06-04

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191 entries where B3P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	0

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Chemical Component Summary
Name	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Systematic Name (OpenEye OEToolkits)	2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol
Formula	C₁₁ H₂₆ N₂ O₆
Molecular Weight	282.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OCC(NCCCNC(CO)(CO)CO)(CO)CO
SMILES	CACTVS	3.341	OCC(CO)(CO)NCCCNC(CO)(CO)CO
SMILES	OpenEye OEToolkits	1.5.0	C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
Canonical SMILES	CACTVS	3.341	OCC(CO)(CO)NCCCNC(CO)(CO)CO
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CNC(CO)(CO)CO)CNC(CO)(CO)CO
InChI	InChI	1.03	InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKey	InChI	1.03	HHKZCCWKTZRCCL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02676
Name	2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol
Groups	experimental
Synonyms	2-[3-(2-Hydroxy-1,1-Dihydroxymethyl-Ethylamino)-Propylamino]-2-Hydroxymethyl-Propane-1,3-Diol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
cAMP-specific 3',5'-cyclic phosphodiesterase 4D	MEAEGSSAPARAGSGEGSDSAGGATLKAPKHLWRHEQHHQYPLRQPQFRL...	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