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Ligand

Nameketoconazole
Molecular formulaC26H28Cl2N4O4
IUPAC name1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular weight531.434
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.3
SynonymsLevoketoconazole
NCGC00016907-02
Nizoral a-D Shampoo
(2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
Piperazine, (-)-1-acetyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-
[ Show all ]
Inchi KeyXMAYWYJOQHXEEK-ZEQKJWHPSA-N
Inchi IDInChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
PubChem CID47576
ChEMBLCHEMBL295698
IUPHARN/A
BindingDB31768
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3954185-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
457412Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
395420Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
395424Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
395417Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
395410D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
395415Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
395419Follicle-stimulating hormone receptorP20395FshrRattus norvegicus (Rat)692
395414Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
395409Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
395421Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
395413Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
395411Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
395422Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
395412Substance-K receptorP21452TACR2Homo sapiens (Human)398
395423Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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