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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	methiothepin
Molecular formula	C20H24N2S2
IUPAC name	1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular weight	356.546
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.2
Synonyms	D0X6MT HMS2089P11 mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Metitepine [INN] NCGC00024665-06 Prestwick0_000375 1-methyl-4-[8-(methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine SMR000326779 96654-EP2305678A1 Tox21_110916 BPBio1_000583 BSPBio_003203 DSSTox_CID_24000 KBio3_002423 MLS000859918 NCI60_002300 (+-)-8-Methylthio-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin Prestwick3_000375 20229-30-5 Spectrum2_001967 AC1L1HFA BRD-A07932845-050-05-9 CCG-204888 DTXSID2044000 Lopac0_000804 Metitepina [INN-Spanish] NCGC00024665-04 Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (+-)- 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine SBI-0050781.P003 96654-EP2287163A1 Spectrum5_001832 BDBM78940 BRN 0626221 CHEMBL93240 Dibenzo(b,f)thiepin, 10,11-dihydro-10-(4-methylpiperazinyl)-8-(methylthio)- (+-) IDI1_000913 methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine Metitepinum NCGC00024665-07 (+-)-1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine Prestwick1_000375 1-methyl-4-[8-(methylthio)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazine SPBio_002093 AB00053700 Tox21_110916_1 BPBio1_001352 C20H24N2S2 DSSTox_GSID_44000 KBioGR_001504 Methiothepine NCGC00024665-02 NINDS_000913 RLJFTICUTYVZDG-UHFFFAOYSA-N Spectrum3_001602 AKOS005065442 BRD-A07932845-066-08-9 CHEBI:64203 GTPL89 LS-111708 Metitepine NCGC00024665-05 Piperazine, 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methyl-, (2Z)-2-butenedioate (1:1) 1-methyl-4-(8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine SCHEMBL113526 96654-EP2298738A1 Tox21 110916 Biomol-NT_000094 BSPBio_000529 cid_3039995 DivK1c_000913 KBio1_000913 methanesulfonic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine Metitepinum [INN-Latin] NCGC00024665-10 (+-)-10-(4-Methylpiperazinyl)-8-(methylthio)-10,11-dihydrodibenzo(b,f)thiepin Prestwick2_000375 1-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-4-methylpiperazine SPBio_002450 AB00053700_19 VUFB-6276 BRD-A07932845-001-01-1 CAS-20229-30-5 DSSTox_RID_80096 L000397 Metitepina NCGC00024665-03 Piperazine, 1-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl- 1-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methylpiperazine Ro-8-6837 Spectrum4_001092 API0015806 BRD-A07932845-103-01-5 [ Show all ]
Inchi Key	RLJFTICUTYVZDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
PubChem CID	4106
ChEMBL	CHEMBL93240
IUPHAR	89
BindingDB	78940
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	10.47 nM	PMID7984267	BindingDB
Ki	12.88 nM	PMID7984267	BindingDB
Ki	95.0 nM	PMID1738111	BindingDB

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