NBS

N6-BENZYL ADENOSINE-5'-DIPHOSPHATE

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
Identifiers	[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₁₇ H₂₁ N₅ O₁₀ P₂
Molecular Weight	517.324
Type	NON-POLYMER
Isomeric SMILES	c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O)O
InChI	InChI=1S/C17H21N5O10P2/c23-13-11(7-30-34(28,29)32-33(25,26)27)31-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,28,29)(H,18,19,20)(H2,25,26,27)/t11-,13-,14-,17-/m1/s1
InChIKey	MRHGMAGSDAQUFH-LSCFUAHRSA-N

Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	5
Bond Count	58
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB01893
Name	N6-Benzyl Adenosine-5'-Diphosphate
Groups	experimental
Synonyms	N6-Benzyl Adenosine-5'-Diphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Proto-oncogene tyrosine-protein kinase Src	MGSNKSKPKDASQRRRSLEPAENVHGAGGGAFPASQTPSKPASADGHRGP...	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