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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	Dothiepin
Molecular formula	C19H21NS
IUPAC name	3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Molecular weight	295.444
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.5
Synonyms	AC1L1FAN 11-(3-Dimethylaminopropyliden)-6,11-dihydrodibenz-(b,e)thiepin 4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride Prestwick1_000488 AKOS030239801 113-53-1 Oprea1_493999 SPBio_002276 CTK8F9365 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine Prestwick0_000488 [ Show all ]
Inchi Key	PHTUQLWOUWZIMZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NS/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3
PubChem CID	3155
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82548
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
260092	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
556488	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
260098	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
260099	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458
260094	Histamine H1 receptor	P31390	Hrh1	Rattus norvegicus (Rat)	486
260097	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
260096	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
260100	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466
260095	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
260093	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
260101	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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