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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Gorilla gorilla gorilla (Western lowland gorilla)
Gene	HTR1B
Synonym	5-HT-1B 5-HT1B Serotonin receptor 1B
Disease	N/A for non-human GPCRs
Length	390
Amino acid sequence	MEEPGAQCAPPXPAGSETWVPQANLSSAPSQNCSAKDYIYQDSIALPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	Q9N2B7
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	CHEMBL2304408
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	PNU-109291
Molecular formula	C24H31N3O3
IUPAC name	(1S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight	409.53
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	PNU-109,291 B7104 SCHEMBL5595821 (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide CHEMBL71838 NCGC00378655-01 (1S)-1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide BDBM50064786 U-109291 (S)-3,4-DIHYDRO-1-[2-[4-(4-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE D0T1SF PNU 109291 AKOS024457165 PNU109291 (S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide GTPL3228 ZINC3828610 187665-60-7 [ Show all ]
Inchi Key	UDLSEQDYARNKTL-QHCPKHFHSA-N
Inchi ID	InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
PubChem CID	9909448
ChEMBL	CHEMBL71838
IUPHAR	N/A
BindingDB	50064786
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	5775.0 nM	PMID9632349	BindingDB,ChEMBL

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