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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Mus musculus (Mouse)
Gene	Htr1a
Synonym	5-HT-1A Gpcr18 ADRBRL1 ADRB2RL1 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A receptor 5-HT1A Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	421
Amino acid sequence	MDMFSLGQGNNTTTSLEPFGTGGNDTGLSNVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSNPNECTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKKGAGTSFGTSSAPPPKKSLNGQPGSGDCRRSAENRAVGTPCANGAVRQGEDDATLEVIEVHRVGNSKGHLPLPSESGATSYVPACLERKNERTAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPELLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCR
UniProt	Q64264
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3737
IUPHAR	N/A
DrugBank	N/A

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	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 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 HMS3268M06 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 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 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 HMS3713J20 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 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 Ipsapirona [ 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.

Experimental Data

Parameter	Value	Reference	Database source
Ki	12.0 nM	N/A	BindingDB
Ki	12.1 nM	Bioorg. Med. Chem. Lett., (1992) 2:12:1703	ChEMBL

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