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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	CHEMBL543390
Molecular formula	C16H16BrNO2
IUPAC name	(1R,3S)-1-(aminomethyl)-6-bromo-3-phenyl-3,4-dihydro-1H-isochromen-5-ol
Molecular weight	334.213
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SCHEMBL9802307 1-Aminomethyl-6-bromo-3-phenyl-isochroman-5-ol; hydrochloride CHEMBL1192194 (1R)-1alpha-(Aminomethyl)-3,4-dihydro-6-bromo-3alpha-phenyl-1H-2-benzopyran-5-ol BDBM50008824
Inchi Key	SIPQEKQXLUBVAY-GJZGRUSLSA-N
Inchi ID	InChI=1S/C16H16BrNO2/c17-13-7-6-11-12(16(13)19)8-14(20-15(11)9-18)10-4-2-1-3-5-10/h1-7,14-15,19H,8-9,18H2/t14-,15-/m0/s1
PubChem CID	15711869
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50008824
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
315296	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
315297	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
315300	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415
567145	D(1) dopamine receptor	P35406		Carassius auratus (Goldfish)	363
315299	D(1A) dopamine receptor	P18901	Drd1	Rattus norvegicus (Rat)	446
315298	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444

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