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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	CHEMBL3128188
Molecular formula	C24H27N5O2
IUPAC name	(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxamide
Molecular weight	417.513
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50448789 SCHEMBL12877400 (6S)-N-[4-[[(2S)-5alpha-[(R)-Hydroxy(3-pyridinyl)methyl]pyrrolidine-2alpha-yl]methyl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxamide
Inchi Key	VXXIYUBYYXZZOE-FCJDFRRUSA-N
Inchi ID	InChI=1S/C24H27N5O2/c30-23(17-2-1-12-25-15-17)21-9-7-19(27-21)14-16-3-5-18(6-4-16)28-24(31)22-10-8-20-11-13-26-29(20)22/h1-6,11-13,15,19,21-23,27,30H,7-10,14H2,(H,28,31)/t19-,21+,22-,23+/m0/s1
PubChem CID	70792359
ChEMBL	CHEMBL3128188
IUPHAR	N/A
BindingDB	50448789
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
366945	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
366947	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
366944	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405
366946	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
366948	Beta-3 adrenergic receptor	Q28524	ADRB3	Macaca mulatta (Rhesus macaque)	418
366949	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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