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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	Sus scrofa (Pig)
Gene	HTR1B
Synonym	5-HT-1B 5-HT1B Serotonin receptor 1B
Disease	N/A for non-human GPCRs
Length	150
Amino acid sequence	VEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRAPDLPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLAMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMFNEDFKQAFHK
UniProt	P79399
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	CHEMBL4104
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL418854
Molecular formula	C22H27ClN2O3
IUPAC name	N-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-[1-(2-methoxyphenyl)piperidin-4-yl]methanamine
Molecular weight	402.919
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.4
Synonyms	L018296 (7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1-(2-methoxy-phenyl)-piperidin-4-ylmethyl]-amine SCHEMBL6767394 BDBM50079939 D05IPO 170353-17-0 [ Show all ]
Inchi Key	QHLRKDSRGUZHSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
PubChem CID	9865858
ChEMBL	CHEMBL418854
IUPHAR	N/A
BindingDB	50079939
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	<1000.0 nM	PMID10464021	BindingDB,ChEMBL

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