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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	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	AC-42
Molecular formula	C20H31NO
IUPAC name	4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Molecular weight	301.474
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	5.2
Synonyms	D0T2RY 4-(4-butylpiperdin-1-yl)-1-(2-methylphenyl)butan-1-one ANTKBACNWQHQJE-UHFFFAOYSA-N L019209 4-n-Butyl-1-[4-(2-methylphenyl)-4-oxo-1-butyl]piperidine CHEMBL1242950 ZINC2022527 AC42 gamma-(4-Butylpiperidino)-2'-methylbutyrophenone 4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one BDBM50326219 NCGC00485453-01 D00REH AKOS030284249 GTPL289 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one SCHEMBL4504348 [ Show all ]
Inchi Key	ANTKBACNWQHQJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31NO/c1-3-4-9-18-12-15-21(16-13-18)14-7-11-20(22)19-10-6-5-8-17(19)2/h5-6,8,10,18H,3-4,7,9,11-16H2,1-2H3
PubChem CID	9948320
ChEMBL	CHEMBL1242950
IUPHAR	289
BindingDB	50326219
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	>1000.0 nM	PMID20684563	BindingDB
Ki	1000.0 nM	PMID20684563	ChEMBL

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