ATR

2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE

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is present as a standalone ligand in 22 entries

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Chemical Component Summary
Name	2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE
Identifiers	[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₁₀ H₁₆ N₅ O₁₃ P₃
Molecular Weight	507.181
Type	NON-POLYMER
Isomeric SMILES	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)O)O)OP(=O)(O)O)N
InChI	InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKey	YPTPYQSAVGGMFN-KQYNXXCUSA-N

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	5
Bond Count	49
Aromatic Bond Count	10

Drug Info: DrugBank

DrugBank ID	DB02363 ?
Name	2'-Monophosphoadenosine-5'-Diphosphate
Groups	experimental
Synonyms	2'-Monophosphoadenosine-5'-Diphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
Shikimate dehydrogenase	MDLYAVWGNPIAQSKSPLIQNKLAAQTHQTMEYIAKLGDLDAFEQQLLAF...	unknown
Ribonuclease pancreatic	MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...	unknown
Dihydrofolate reductase	MISLIAALAVDRVIGMENAMPWNLPADLAWFKRNTLNKPVIMGRHTWESI...	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