AGP

2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

Find Related PDB Entry
7 entries where AGP is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	4
Bond Count	31
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5S)-5-amino-2,3,4,6-tetrahydroxy-hexyl] dihydrogen phosphate
Formula	C₆ H₁₆ N O₈ P
Molecular Weight	261.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
SMILES	CACTVS	3.341	N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
Canonical SMILES	CACTVS	3.341	N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
InChI	InChI	1.03	InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKey	InChI	1.03	LBNVXZROMBUNNQ-SLPGGIOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02445
Name	2-Deoxy-2-Amino Glucitol-6-Phosphate
Groups	experimental
Synonyms	2-Deoxy-2-Amino Glucitol-6-Phosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
Glutamine--fructose-6-phosphate aminotransferase [isomerizing]	MCGIVGAIAQRDVAEILLEGLRRLEYRGYDSAGLAVVDAEGHMTRLRRLG...	unknown
Glucosamine-6-phosphate isomerase 1	MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYK...	unknown
Glucosamine-6-phosphate deaminase	MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYK...	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