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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A2b
Species	Bos taurus (Bovine)
Gene	ADORA2B
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	332
Amino acid sequence	MPLEAQDAVYVALELALAALSVTGNVLVCAAVGTSSALQTPTNYFLVSLAAADVAVGLFAIPFAVTISLGFCTDFHSCLFLACFVLVLTQSSIFSLLAVAVDRYLAVRVPLRYKSLVTGARARGVIAALWVLAFGIGLTPFLGWNDRKIATNCTEPGDAATNVSCCLIRCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYVKIFLVACRQLQRTELMDHSRTVLQREIHAAKSLALIVGIFALCWLPVHTINCASLFQPTWAKVKPKWAINTAILLSHANSAVNPIVYAYRNRDFRYTFHKIISRYILCRTHILKSGEGQVGSQPTLQLGL
UniProt	Q1LZD0
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	N/A
IUPHAR	N/A
DrugBank	N/A

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	BEN725 HMS3263B06 Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) PDSP1_000506 VHGCDTVCOLNTBX-UHFFFAOYSA-N A840467 CCG-205276 Lopac0_001202 N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine NCGC00016056-03 SCHEMBL341802 (R)-N-methyl-gamma-(2-methylphenoxy)-benzenepropanamine Atomoxetine [INN] CHEMBL641 Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine N-Methyl-3-phenyl-3-(2-methylphenoxy)-1-propanamine NCGC00094449-02 T 7947 Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)- HSDB 7352 N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine N-Methyl-gamma-(2-methyl-phenoxy)benzenepropanamine PDSP2_000504 (+-)-N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine AC1OA87A LP01202 N-methyl-3-(2-methylphenoxy)-3-phenylpropylamine NCGC00016056-04 SR-01000076179 (S)-Tomoxetine BDBM50022784 EU-0101202 Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine N-methyl-3-phenyl-3-(o-tolyloxy)-propylamine NCGC00261887-01 Tox21_501202 63940-51-2 Benzenepropanamine, N-methyl-\|A-(2-methylphenoxy)- I06-1645 N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine NCGC00016056-02 SCHEMBL12047445 (R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine AKOS005066737 CHEMBL299052 LS-177727 N-Methyl-3-(2-methylphenyloxy)-3-phenyl-propanamine NCGC00094449-01 SR-01000076179-1 [ 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	BindingDB

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