PDE

PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE
Identifiers	(2S)-2-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]propanoic acid
Formula	C₁₃ H₁₇ N₂ O₈ P
Molecular Weight	360.256
Type	NON-POLYMER
Isomeric SMILES	C[C@@H](C(=O)O)NC(=O)CCC[P@@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]
InChI	InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1
InChIKey	KBXXIYHMPQZHCH-VIFPVBQESA-N

Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	2
Bond Count	41
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB08411
Name	N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine
Groups	experimental
Synonyms	p-nitrophenyl phosphonobutanoyl L-alanine N-[4-(4-nitrophenylphospho)butyryl]-L-alanine N-[4-(4-nitrophenylphospho)butanoyl]-L-alanine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ig gamma-1 chain C region	ASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...	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