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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	CHEMBL274922
Molecular formula	C27H34N6O3
IUPAC name	3-[1-[[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamoyl]piperidin-4-yl]-1H-indole-5-carboxamide
Molecular weight	490.608
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.3
Synonyms	3-[1-[[3-(4-Methylpiperazino)-4-methoxyphenyl]carbamoyl]piperidine-4-yl]-1H-indole-5-carboxamide BDBM50086095 SCHEMBL6345386 3-{1-[4-Methoxy-3-(4-methyl-piperazin-1-yl)-phenylcarbamoyl]-piperidin-4-yl}-1H-indole-5-carboxylic acid amide
Inchi Key	BWSZPXLKWNGQFZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H34N6O3/c1-31-11-13-32(14-12-31)24-16-20(4-6-25(24)36-2)30-27(35)33-9-7-18(8-10-33)22-17-29-23-5-3-19(26(28)34)15-21(22)23/h3-6,15-18,29H,7-14H2,1-2H3,(H2,28,34)(H,30,35)
PubChem CID	10529106
ChEMBL	CHEMBL274922
IUPHAR	N/A
BindingDB	50086095
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	113.0 nM	PMID10737747	BindingDB,ChEMBL

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