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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	ML398
Molecular formula	C19H22ClNO
IUPAC name	(2R)-4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine
Molecular weight	315.841
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.4
Synonyms	GTPL8440 VU0603865-2 CHEMBL3335556 (2R)-4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)morpholine BDBM50027083 D08QPU VU0603865-1 [ Show all ]
Inchi Key	CVKXGRRJHJHUFY-LJQANCHMSA-N
Inchi ID	InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2/t19-/m1/s1
PubChem CID	72737723
ChEMBL	CHEMBL3335556
IUPHAR	8440
BindingDB	50027083
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
443753	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
443751	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
443755	D(1B) dopamine receptor	P21918	DRD5	Homo sapiens (Human)	477
443750	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
443754	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
51569	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
443752	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487

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