AP2

PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER

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is present as a standalone ligand in 9 entries

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Chemical Component Summary
Name	PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Identifiers	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid
Formula	C₁₁ H₁₇ N₅ O₉ P₂
Molecular Weight	425.228
Type	NON-POLYMER
Isomeric SMILES	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(CP(=O)(O)O)O)O)O)N
InChI	InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKey	OLCWZBFDIYXLAA-IOSLPCCCSA-N

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	5
Bond Count	46
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB03148 ?
Name	Adenosine 5'-methylenediphosphate
Groups	experimental
Synonyms	Adenosine 5'-methylenediphosphate Adenosine, 5'-(trihydrogen methylenebis(phosphonate)) Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate) Phosphomethylphosphonic acid adenosyl ester
Categories	5'-Nucleotidase, antagonists & inhibitors Adenine Nucleotides Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Nucleic Acids, Nucleotides, and Nucleosides Nucleotides Purine Nucleotides Purines Ribonucleotides
CAS number	3768-14-7

Drug Targets

Name	Target Sequence	Pharmacological Action
DNA	-	unknown
Ribose-phosphate pyrophosphokinase	MSNQYGDKNLKIFSLNSNPELAKEIADIVGVQLGKCSVTRFSDGEVQINI...	unknown
MutT/nudix family protein	MAEHDFETISSETLHTGAIFALRRDQVRMPGGGIVTREVVEHFGAVAIVA...	unknown
Protein UshA	MKLLQRGVALALLTTFTLASETALAYEQDKTYKITVLHTNDHHGHFWRNE...	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