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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	CHEMBL3128194
Molecular formula	C25H28N4O2S
IUPAC name	(4R)-2-amino-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxamide
Molecular weight	448.585
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	3.2
Synonyms	BDBM50448786
Inchi Key	OKIOQHRDFOXEBF-DZCCDHAISA-N
Inchi ID	InChI=1S/C25H28N4O2S/c26-25-29-22-19(11-13-21(22)32-25)24(31)28-17-8-6-15(7-9-17)14-18-10-12-20(27-18)23(30)16-4-2-1-3-5-16/h1-9,18-20,23,27,30H,10-14H2,(H2,26,29)(H,28,31)/t18-,19+,20+,23+/m0/s1
PubChem CID	76336500
ChEMBL	CHEMBL3128194
IUPHAR	N/A
BindingDB	50448786
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
243569	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
243564	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
243565	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405
243566	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
243567	Beta-3 adrenergic receptor	Q28524	ADRB3	Macaca mulatta (Rhesus macaque)	418
243568	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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