BMQ

1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID

Created:	2000-03-02
Last modified:	2011-06-24

Find Related PDB Entry
9 entries where BMQ is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	36
Aromatic Bond Count	0

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID
Systematic Name (OpenEye OEToolkits)	[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
Formula	C₉ H₁₃ N₂ O₁₀ P
Molecular Weight	340.181
Type	RNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(O)C2O
SMILES	CACTVS	3.370	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.7.2	C1C(=O)NC(=O)N(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O
Canonical SMILES	CACTVS	3.370	O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	C1C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
InChI	InChI	1.03	InChI=1S/C9H13N2O10P/c12-4-1-5(13)11(9(16)10-4)8-7(15)6(14)3(21-8)2-20-22(17,18)19/h3,6-8,14-15H,1-2H2,(H,10,12,16)(H2,17,18,19)/t3-,6-,7-,8-/m1/s1
InChIKey	InChI	1.03	AODYJUNLDJOADV-YXZULKJRSA-N

Drug Info: DrugBank

DrugBank ID	DB03668
Name	6-oxouridine 5'-phosphate
Groups	experimental
Synonyms	6-oxouridine 5'-phosphate 5,6-dihydro-6-oxouridine 5'-phosphate 5,6-dihydro-6-oxouridine 5'-monophosphate

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Orotidine 5'-phosphate decarboxylase	MTLTASSSSRAVTNSPVVVALDYHNRDDALAFVDKIDPRDCRLKVGKEMF...	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