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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	IPSAPIRONE
Molecular formula	C19H23N5O3S
IUPAC name	1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular weight	401.485
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.5
Synonyms	Ipsapironum PDSP2_000732 TVX Q 7821 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one(Ipsapirone) API0003024 C-33115 CTK8G0348 FT-0754953 HMS3713J20 LS-33620 SR-01000597547-1 Z6181 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-butyl)-1,2-benzoisothiazol-3(2H)-one-1,1-dioxide 95847-70-4 BCP14089 CC-08433 DB-020290 NCGC00025315-02 Tox21_110962 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one 2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide AKOS000278833 BRD-K90574421-001-01-9 DSSTox_RID_81060 Ipsapironum [Latin] SCHEMBL79574 TZJUVVIWVWFLCD-UHFFFAOYSA-N 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one AS-16846 C19H23N5O3S D02FNU GTPL42 Ipsapirona MolPort-003-983-477 SR-01000597547-2 ZINC1999529 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide AC1L1M24 BDBM50005127 CCG-220609 DSSTox_CID_25688 Ipsapirone [INN:BAN] PDSP1_000744 Tox21_110962_1 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one (Ipsapirone) 2-[4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]BUTYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE AOB5319 BRN 5486134 CHEMBL8412 DTXSID4045688 HMS3268M06 L000682 SR-01000597547 UNII-6J9B11MN0K 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide 6J9B11MN0K B6883 CAS-95847-70-4 D0Q3ES Ipsapirona [Spanish] NCGC00025315-01 Tocris-1869 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzoisothiazol-3(2H)one 1,1-dioxide AC1Q6K8A BG0370 CHEBI:93578 DSSTox_GSID_45688 [ Show all ]
Inchi Key	TZJUVVIWVWFLCD-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	56971
ChEMBL	CHEMBL8412
IUPHAR	42
BindingDB	50005127
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
331147	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
331148	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
331151	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
331155	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
331154	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
331158	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
331161	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
331150	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
331162	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
331149	Alpha-2A adrenergic receptor	Q28838	ADRA2A	Bos taurus (Bovine)	452
331156	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
331152	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
331153	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
331160	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
331159	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
331157	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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