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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	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	ZINC958 2-chloro-6-(4-piperidinylthio)Pyridine 98330-05-3 Anpirtolinum [Latin] D 16949 GGALEXMXDMUMDM-UHFFFAOYSA-N PDSP2_001381 Tox21 110922 32K9S228IK Anpirtolina BRD-K55424922-001-01-4 DA-00090 NCGC00024740-01 UNII-32K9S228IK 6-chloro-2-(piperidyl-4-thiol)pyridine Anpirtoline [INN] CHEBI:92968 DSSTox_RID_81036 NCGC00024740-04 2-chloro-6-(piperidin-4-ylsulfanyl)pyridine AC1L243W Biomol-NT_000088 D-16949 LS-178376 SCHEMBL398427 Tox21_110922 4-((6-Chloro-2-pyridyl)thio)piperidine Anpirtolina [Spanish] C10H13ClN2S DSSTox_CID_25659 NCGC00024740-02 VP14844 6-CHLORO-2-[PIPERDINYL-4-THIO]PYRIDINE HYDROCHLORIDE Anpirtolinum CHEMBL1316374 DTXSID7045659 PDSP1_001397 2-chloro-6-piperidin-4-ylsulfanylpyridine AKOS022656774 BPBio1_001089 D02ZPM MCULE-9954738000 Tocris-0703 Tox21_110922_1 6-chlor-2-(piperidyl-4-thio)pyridine CAS-98330-05-3 DSSTox_GSID_45659 NCGC00024740-03 [ 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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