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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameIPSAPIRONE
Molecular formulaC19H23N5O3S
IUPAC name1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular weight401.485
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.5
Synonyms95847-70-4
Ipsapironum [Latin]
Ipsapirona [Spanish]
Ipsapirone [INN:BAN]
UNII-6J9B11MN0K
[ Show all ]
Inchi KeyTZJUVVIWVWFLCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
PubChem CID56971
ChEMBLCHEMBL8412
IUPHAR42
BindingDB50005127
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 16
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3311475-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
3311485-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3311515-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
3311555-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
3311545-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
331158Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
331161Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
331150Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
331162Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
331149Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
331156D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
331152D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444
331153D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
331160D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
331159D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
331157D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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