DUD

DEOXYURIDINE-5'-DIPHOSPHATE

Created:	1999-07-08
Last modified:	2011-06-04

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16 entries where DUD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	0

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Chemical Component Summary
Name	DEOXYURIDINE-5'-DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
Formula	C₉ H₁₄ N₂ O₁₁ P₂
Molecular Weight	388.162
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
SMILES	CACTVS	3.341	O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O)(O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO[P@](=O)(O)OP(=O)(O)O)O
InChI	InChI	1.03	InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	InChI	1.03	QHWZTVCCBMIIKE-SHYZEUOFSA-N

Drug Info: DrugBank

DrugBank ID	DB03413
Name	Deoxyuridine-5'-Diphosphate
Groups	experimental
Synonyms	Deoxyuridine-5'-Diphosphate

Drug Targets

Name	Target Sequence	Pharmacological Action
Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial	MTPLCPRPALCYHFLTSLLRSAMQNARGARQRAEAAVLSGPGPPLGRAAQ...	unknown
Deoxyuridine 5'-triphosphate nucleotidohydrolase	MKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLV...	unknown
Deoxyuridine 5'-triphosphate nucleotidohydrolase	MSTTLAIVRLDPGLPLPSRAHDGDAGVDLYSAEDVELAPGRRALVRTGVA...	unknown
Deoxyuridine triphosphatase	MNRVQSGFRVPARVLNSLAHLQDGLNIFMDPDWRQIRHVDDWALAITMES...	unknown
Pol polyprotein	TAWTFLKAMQKCSKKREARGSREAPETNFPDTTEESAQQICCTRDSSDSK...	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