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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	N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
Molecular formula	C17H21NO
IUPAC name	N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
Molecular weight	255.361
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.7
Synonyms	I06-1645 N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine NCGC00016056-02 SCHEMBL12047445 63940-51-2 Benzenepropanamine, N-methyl-\|A-(2-methylphenoxy)- LS-177727 N-Methyl-3-(2-methylphenyloxy)-3-phenyl-propanamine NCGC00094449-01 SR-01000076179-1 (R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine AKOS005066737 CHEMBL299052 HMS3263B06 Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) PDSP1_000506 VHGCDTVCOLNTBX-UHFFFAOYSA-N BEN725 Lopac0_001202 N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine NCGC00016056-03 SCHEMBL341802 A840467 CCG-205276 Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine N-Methyl-3-phenyl-3-(2-methylphenoxy)-1-propanamine NCGC00094449-02 T 7947 (R)-N-methyl-gamma-(2-methylphenoxy)-benzenepropanamine Atomoxetine [INN] CHEMBL641 HSDB 7352 N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine N-Methyl-gamma-(2-methyl-phenoxy)benzenepropanamine PDSP2_000504 Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)- LP01202 N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine NCGC00016056-04 SR-01000076179 (+-)-N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine AC1OA87A Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine NCGC00261887-01 Tox21_501202 (S)-Tomoxetine BDBM50022784 EU-0101202 [ Show all ]
Inchi Key	VHGCDTVCOLNTBX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3
PubChem CID	6850813
ChEMBL	CHEMBL299052
IUPHAR	N/A
BindingDB	50022784
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	1000.0 nM	PMID12431845	PDSP,BindingDB

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