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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	WB-4101
Molecular formula	C19H23NO5
IUPAC name	N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight	345.395
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	LS-187404 NCGC00015318-05 Spectrum4_001213 1,4-Benzodioxin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro- AC1L1KWN KBio2_004879 N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine SCHEMBL800982 WB 4101 2170-58-3 (hydrochloride) BRD-A01493904-003-02-2 D03QMR KBioGR_001646 NCGC00015318-03 Spectrum2_001575 (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzo-1,4-dioxane 613-67-2 (Parent) CCG-204430 GTPL499 Lopac0_000335 MLS000859914 NCGC00024893-02 Spectrum5_001831 1,4-benzodioxin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro- AC1Q7017 CHEMBL25554 KBio2_007447 N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride SMR000326775 BRD-A01493904-003-05-5 DTXSID1043885 KBioSS_002313 NCGC00015318-04 Spectrum3_000785 (2-(2',6'-Dimethoxy)phenoxyethylamino)methylbenzodioxan CHEBI:64098 KBio2_002311 LS-186702 N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine NCGC00024893-03 Spectrum_001815 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dimethoxyphenoxy)ethyl]amine;hydrochloride BDBM69602 cid_11957505 KBio3_001710 N-(2-(2,6-Dimethoxyphenoxy)ethyl)-2,3-dihydro-1,4-benzodioxin-2-methanamine SPBio_001510 WB4101 (2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)(2-(2,6-dimethoxyphenoxy)ethyl)ammonium chloride 613-67-2 BSPBio_002490 EINECS 218-520-3 L000625 [ Show all ]
Inchi Key	GYSZUJHYXCZAKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID	5685
ChEMBL	CHEMBL25554
IUPHAR	499
BindingDB	69602
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
108594	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
108598	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
108599	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
108593	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
108595	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
108602	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
108591	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
108592	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
108601	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
108603	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
108597	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
108607	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
108606	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
108600	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
108604	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
108596	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
108605	D(3) dopamine receptor	P19020	Drd3	Rattus norvegicus (Rat)	446

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