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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	CHEMBL263700
Molecular formula	C19H20N2O2
IUPAC name	[3-[2-(dimethylamino)ethyl]-5-hydroxyindol-1-yl]-phenylmethanone
Molecular weight	308.381
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.5
Synonyms	[3-(2-Dimethylamino-ethyl)-5-hydroxy-indol-1-yl]-phenyl-methanone UJELDYRUBKQNKE-UHFFFAOYSA-N BDBM50106252 N,N-Dimethyl-1-benzoyl-5-hydroxy-1H-indole-3-ethanamine [3-(2-Dimethylamino-ethyl)-5-hydroxy-1H-indol-1-yl]phenylmethanone SCHEMBL7443507 [ Show all ]
Inchi Key	UJELDYRUBKQNKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H20N2O2/c1-20(2)11-10-15-13-21(18-9-8-16(22)12-17(15)18)19(23)14-6-4-3-5-7-14/h3-9,12-13,22H,10-11H2,1-2H3
PubChem CID	9796627
ChEMBL	CHEMBL263700
IUPHAR	N/A
BindingDB	50106252
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	420.0 nM	PMID11689074	BindingDB,ChEMBL

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