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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	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	CHEMBL15808
Molecular formula	C24H28FN5O2
IUPAC name	8-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
Molecular weight	437.519
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	2.8
Synonyms	N-[3-(4-Methylpiperazino)-4-methoxyphenyl]-2,3,4,5-tetrahydro-8-fluoro-1H-pyrido[4,3-b]indole-2-carboxamide 8-Fluoro-1,3,4,5-tetrahydro-pyrido[4,3-b]indole-2-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide BDBM50086103
Inchi Key	OKAPXVXSORGNAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H28FN5O2/c1-28-9-11-29(12-10-28)22-14-17(4-6-23(22)32-2)26-24(31)30-8-7-21-19(15-30)18-13-16(25)3-5-20(18)27-21/h3-6,13-14,27H,7-12,15H2,1-2H3,(H,26,31)
PubChem CID	10646633
ChEMBL	CHEMBL15808
IUPHAR	N/A
BindingDB	50086103
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	567.0 nM	PMID10737747	BindingDB,ChEMBL

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