H1N

N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE

Created:	2004-12-15
Last modified:	2021-03-01

Find Related PDB Entry
3 entries where H1N 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	69
Chiral Atom Count	0
Bond Count	73
Aromatic Bond Count	22

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
Synonyms	HESPERADIN
Systematic Name (OpenEye OEToolkits)	N-[2-oxo-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1,3-dihydroindol-5-yl]ethanesulfonamide
Formula	C₂₉ H₃₂ N₄ O₃ S
Molecular Weight	516.654
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(Nc1ccc2c(c1)C(C(=O)N2)C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5)CC
SMILES	CACTVS	3.341	CC[S](=O)(=O)Nc1ccc2NC(=O)[CH](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)C(=Nc3ccc(cc3)CN4CCCCC4)c5ccccc5
Canonical SMILES	CACTVS	3.341	CC[S](=O)(=O)Nc1ccc2NC(=O)[C@@H](c2c1)C(=Nc3ccc(CN4CCCCC4)cc3)c5ccccc5
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCS(=O)(=O)Nc1ccc2c(c1)C(C(=O)N2)/C(=N/c3ccc(cc3)CN4CCCCC4)/c5ccccc5
InChI	InChI	1.03	InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,27,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b30-28+/t27-/m0/s1
InChIKey	InChI	1.03	SGZZQKMOFHIDKW-MCKMWFOCSA-N

Drug Info: DrugBank

DrugBank ID	DB04703
Name	Hesperidin
Groups	approved investigational
Description	Hesperidin is a flavan-on glycoside found in citrus fruits.
Synonyms	Ciratin Hesperidoside Cirantin Hesperetin 7-O-rutinoside Hesperidina (S)-(−)-hesperidin Hesperidin
Brand Names	Cilobana Cpa Tab Special C Rose Hips 500plus Nu Life
Categories	Benzopyrans Carbohydrates Chromones Flavanones Flavonoids Glycosides Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	520-26-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aurora kinase B	MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPT...	unknown	regulator

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