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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	CHEMBL3765335
Molecular formula	C25H28N4O3
IUPAC name	(2S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-2-(6-oxopyridazin-1-yl)propanamide
Molecular weight	432.524
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	2.1
Synonyms	BDBM50146160
Inchi Key	PBXGYXYBIGMVQD-KBABAZTHSA-N
Inchi ID	InChI=1S/C25H28N4O3/c1-17(29-23(30)8-5-15-26-29)25(32)28-20-11-9-18(10-12-20)16-21-13-14-22(27-21)24(31)19-6-3-2-4-7-19/h2-12,15,17,21-22,24,27,31H,13-14,16H2,1H3,(H,28,32)/t17-,21-,22+,24+/m0/s1
PubChem CID	127037832
ChEMBL	CHEMBL3765335
IUPHAR	N/A
BindingDB	50146160
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
528844	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
528842	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
528840	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400
528841	Beta-3 adrenergic receptor	Q28524	ADRB3	Macaca mulatta (Rhesus macaque)	418
528843	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
528845	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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