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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	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	CHEMBL280314
Molecular formula	C25H31FN4O3
IUPAC name	N-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxamide
Molecular weight	454.546
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.6
Synonyms	N-[3-[2-(Dimethylamino)ethoxy]-4-methoxyphenyl]-4-(5-fluoro-1H-indole-3-yl)piperidine-1-carboxamide 4-(5-Fluoro-1H-indol-3-yl)-piperidine-1-carboxylic acid [3-(2-dimethylamino-ethoxy)-4-methoxy-phenyl]-amide BDBM50086113
Inchi Key	GHQNRRDUAUSWGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H31FN4O3/c1-29(2)12-13-33-24-15-19(5-7-23(24)32-3)28-25(31)30-10-8-17(9-11-30)21-16-27-22-6-4-18(26)14-20(21)22/h4-7,14-17,27H,8-13H2,1-3H3,(H,28,31)
PubChem CID	10551680
ChEMBL	CHEMBL280314
IUPHAR	N/A
BindingDB	50086113
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	633.0 nM	PMID10737747	BindingDB,ChEMBL

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