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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	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	CHEMBL361303
Molecular formula	C21H22FN3O
IUPAC name	4-fluoro-N-[1-(1-methylpiperidin-4-yl)indol-6-yl]benzamide
Molecular weight	351.425
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.4
Synonyms	DTXSID70658719 BDBM50156407 4-Fluoro-N-[1-(1-methyl-piperidin-4-yl)-1H-indol-6-yl]-benzamide 823191-52-2 Benzamide, 4-fluoro-N-[1-(1-methyl-4-piperidinyl)-1H-indol-6-yl]- 4-Fluoro-N-[1-(1-methylpiperidin-4-yl)-1H-indol-6-yl]benzamide CTK3E1015 AKOS030578067 [ Show all ]
Inchi Key	DKDSMUOEMDNPTM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22FN3O/c1-24-11-9-19(10-12-24)25-13-8-15-4-7-18(14-20(15)25)23-21(26)16-2-5-17(22)6-3-16/h2-8,13-14,19H,9-12H2,1H3,(H,23,26)
PubChem CID	44395832
ChEMBL	CHEMBL361303
IUPHAR	N/A
BindingDB	50156407
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	260.0 nM	PMID15546719	BindingDB,ChEMBL

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