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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	Binospirone
Molecular formula	C20H26N2O4
IUPAC name	8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	358.438
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.3
Synonyms	8-[2-[[(2,3-Dihydro-1,4-benzodioxin)-2-yl]methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione Biomol-NT_000113 L002036 SCHEMBL244369 AC1Q6FAE BRD-A50764878-003-01-0 PDSP1_000562 102908-59-8 Binospirone mesylate < Rec INNM CHEMBL1487115 Rac-N-[2-[(1,4-Benzodioxan-2-ylmethyl)amino]ethyl]-1,1-cyclopentanediazetimide methanesulfonate BPBio1_000045 MDL 73005 EF BDBM82518 CAS_124756-23-6 PDSP2_000560 8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione Binospirone [INN] D05AAM Rac-N-[4-(1,4-Benzodioxan-2-ylmethylamino)ethyl]-3,3-tetramethyleneglutarimide methanesulfonate AC1L1TVW BRD-A50764878-001-01-4 NCGC00024574-02 CHEBI:91740 Rac-8-[2-[(2,3-Dihydro-1,4-benzodioxin-2-yl)methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione methanesulfonate [ Show all ]
Inchi Key	BVMYCHKQPGEOSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
PubChem CID	60769
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82518
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	4570.88 nM	PMID8301575	BindingDB

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