BRD

1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE

Created:	2002-09-17
Last modified:	2025-09-23

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1 entries where BRD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	4
Bond Count	34
Aromatic Bond Count	0

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Chemical Component Summary
Name	1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
Systematic Name (OpenEye OEToolkits)	3-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4,7-dihydro-1~{H}-1,3-diazepin-2-one
Formula	C₁₀ H₁₆ N₂ O₅
Molecular Weight	244.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1NCC=CCN1C1OC(CO)C(O)C1O
SMILES	CACTVS	3.385	OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=CCNC2=O
SMILES	OpenEye OEToolkits	3.1.0.0	C1C=CCN(C(=O)N1)C2C(C(C(O2)CO)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=CCNC2=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C1C=CCN(C(=O)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI	InChI	1.06	InChI=1S/C10H16N2O5/c13-5-6-7(14)8(15)9(17-6)12-4-2-1-3-11-10(12)16/h1-2,6-9,13-15H,3-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
InChIKey	InChI	1.06	HBBIVXDEBCKFIZ-FNCVBFRFSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB03185
Name	1-Beta-Ribofuranosyl-1,3-Diazepinone
Groups	experimental
Synonyms	1-Beta-Ribofuranosyl-1,3-Diazepinone

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Cytidine deaminase	MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIF...	unknown
Cytidine deaminase	MAQKRPACTLKPECVQQLLVCSQEAKKSAYCPYSHFPVGAALLTQEGRIF...	unknown	ligand

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