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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.
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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	1-(1-Naphthyl)piperazine
Molecular formula	C14H16N2
IUPAC name	1-naphthalen-1-ylpiperazine
Molecular weight	212.296
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.6
Synonyms	AC1L1B9K BRD-K05977380-001-01-7 GTPL3 N-(1-naphthyl)-piperazine NCGC00162360-02 ZINC2516045 1-Naphthylpiperazine AT-057/41429159 Lopac0_001181 NCGC00015905-01 PDSP2_000916 1-(naphthalen-1-yl)piperazine 4-(1-naphthyl)piperazine Biomol-NT_000100 D03TDN N-(1- naphthyl)piperazine NCGC00015905-04 SCHEMBL240244 1-naphthalen-1-yl-piperazine, AldrichCPR AC1Q1INU CCG-205255 L001113 N-(1-naphthyl)piperazine Oprea1_621306 1-(1-Naphthyl)piperazine HCl_x000D_ 4-(naphth-1-yl)piperazine BC4157455 CHEMBL277120 MCULE-4447428643 NCGC00015905-02 Piperazine, 1-(1-naphthalenyl)- 1-(naphthalene-1-yl)piperazine 57536-86-4 BPBio1_001387 D04YOT N-(1-naphthyl) piperazine NCGC00162360-01 VNICFCQJUVFULD-UHFFFAOYSA-N 1-naphthalen-1-ylpiperazine AKOS003591178 CHEBI:108599 Lopac-S-003 Naphthylpiperazine PDSP1_000930 1-(naphth-1-yl)piperazine 4-(1-naphthyl) piperazine 4-Naphthalen-1-yl-piperazin-1-ium BDBM50007407 CTK5A7019 MolPort-002-344-189 NCGC00015905-03 Piperazine,1-(1-naphthalenyl)- 1-Naphthalen-1-yl-piperazine [ Show all ]
Inchi Key	VNICFCQJUVFULD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16/h1-7,15H,8-11H2
PubChem CID	1342
ChEMBL	CHEMBL277120
IUPHAR	3
BindingDB	50007407
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Antagonism	96.0 %	PMID9397179	ChEMBL
EC50	<1000.0 nM	PMID9397179	BindingDB,ChEMBL
EC50	<10000.0 nM	PMID9871775	BindingDB,ChEMBL
Emax	>10.0 %	PMID9397179	ChEMBL
Ki	7.4 nM	PMID1565658	PDSP
Ki	10.0 nM	PMID9397179	BindingDB
Ki	10.1 nM	PMID9397179	PDSP,ChEMBL
Ki	10.6 nM	PMID9871775	ChEMBL
Ki	11.0 nM	PMID9871775	BindingDB
Ki	12.02 nM	PMID7984267	PDSP,BindingDB
Ki	12.5893 - 19.9526 nM	PMID9397179, PMID1565658, PMID8863519	IUPHAR

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