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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	Cavia porcellus (Guinea pig)
Gene	HTR1B
Synonym	5-HT-1B 5-HT1B Serotonin receptor 1B
Disease	N/A for non-human GPCRs
Length	389
Amino acid sequence	MGNPEASCTPPAVLGSQTGLPHANVSAPPNNCSAPSHIYQDSIALPWKVLLVVLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAFTDLLVSILVMPISTMYTVTGRWTLGQALCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVGYSAKRTPRRAAGMIALVWVFSICISLPPFFWRQAKAEEEVLDCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRAPEVPCDSGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGVILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTT
UniProt	O08892
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Anpirtoline
Molecular formula	C10H13ClN2S
IUPAC name	2-chloro-6-piperidin-4-ylsulfanylpyridine
Molecular weight	228.738
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.8
Synonyms	D02ZPM MCULE-9954738000 Tocris-0703 2-chloro-6-piperidin-4-ylsulfanylpyridine AKOS022656774 BPBio1_001089 DSSTox_GSID_45659 NCGC00024740-03 Tox21_110922_1 6-chlor-2-(piperidyl-4-thio)pyridine CAS-98330-05-3 D 16949 GGALEXMXDMUMDM-UHFFFAOYSA-N PDSP2_001381 ZINC958 2-chloro-6-(4-piperidinylthio)Pyridine 98330-05-3 Anpirtolinum [Latin] DA-00090 NCGC00024740-01 Tox21 110922 32K9S228IK Anpirtolina BRD-K55424922-001-01-4 DSSTox_RID_81036 NCGC00024740-04 UNII-32K9S228IK 6-chloro-2-(piperidyl-4-thiol)pyridine Anpirtoline [INN] CHEBI:92968 D-16949 LS-178376 SCHEMBL398427 2-chloro-6-(piperidin-4-ylsulfanyl)pyridine AC1L243W Biomol-NT_000088 DSSTox_CID_25659 NCGC00024740-02 Tox21_110922 4-((6-Chloro-2-pyridyl)thio)piperidine Anpirtolina [Spanish] C10H13ClN2S DTXSID7045659 PDSP1_001397 VP14844 6-CHLORO-2-[PIPERDINYL-4-THIO]PYRIDINE HYDROCHLORIDE Anpirtolinum CHEMBL1316374 [ Show all ]
Inchi Key	GGALEXMXDMUMDM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13ClN2S/c11-9-2-1-3-10(13-9)14-8-4-6-12-7-5-8/h1-3,8,12H,4-7H2
PubChem CID	65854
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	10.4713 nM	PMID11888550	PDSP

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