U05

6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE

Created:	1999-07-08
Last modified:	2021-03-01

Find Related PDB Entry
3 entries where U05 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	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
Synonyms	1051U91
Systematic Name (OpenEye OEToolkits)	11-ethyl-6-methyl-9-nitro-pyrido[3,2-c][1,5]benzodiazepin-5-one
Formula	C₁₅ H₁₄ N₄ O₃
Molecular Weight	298.297
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-][N+](=O)c2ccc3N(C(=O)c1cccnc1N(c3c2)CC)C
SMILES	CACTVS	3.341	CCN1c2cc(ccc2N(C)C(=O)c3cccnc13)[N+]([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	CCN1c2cc(ccc2N(C)C(=O)c3cccnc13)[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCN1c2cc(ccc2N(C(=O)c3c1nccc3)C)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3
InChIKey	InChI	1.03	YCFJZPGDTZVVSM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08665
Name	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE
Groups	experimental
Synonyms	6,11-DIHYDRO-11-ETHYL-6-METHYL-9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-5-ONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	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