MDR

9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE

Created:	2003-04-04
Last modified:	2011-06-04

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2 entries where MDR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	3
Bond Count	34
Aromatic Bond Count	10

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Chemical Component Summary
Name	9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE
Systematic Name (OpenEye OEToolkits)	(2R,3S,5R)-2-(hydroxymethyl)-5-(6-methylpurin-9-yl)oxolan-3-ol
Formula	C₁₁ H₁₄ N₄ O₃
Molecular Weight	250.254
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C
SMILES	CACTVS	3.341	Cc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO)O3
SMILES	OpenEye OEToolkits	1.5.0	Cc1c2c(ncn1)n(cn2)C3CC(C(O3)CO)O
Canonical SMILES	CACTVS	3.341	Cc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO)O3
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI	InChI	1.03	InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1
InChIKey	InChI	1.03	SJXRKKYXNZWKDB-DJLDLDEBSA-N

Drug Info: DrugBank

DrugBank ID	DB03735
Name	9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine
Groups	experimental
Synonyms	9-(2-Deoxy-Beta-D-Ribofuranosyl)-6-Methylpurine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Purine nucleoside phosphorylase DeoD-type	MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...	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