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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	CHEMBL306197
Molecular formula	C25H32N2O
IUPAC name	N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine
Molecular weight	376.544
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	6.0
Synonyms	[3-(2-Methoxy-phenyl)-propyl]-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-amine BDBM50035358 N-[3-(2-Methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benz[e]indol-8-amine
Inchi Key	AAYJEWYLPYARLE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3
PubChem CID	11740280
ChEMBL	CHEMBL306197
IUPHAR	N/A
BindingDB	50035358
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	40.0 nM	PMID7783153	BindingDB,ChEMBL

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