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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	CHEMBL589198
Molecular formula	C34H48N6O6
IUPAC name	(4S)-4-[[4-[4-(dimethylamino)piperidin-1-yl]-6-phenylpyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)pentanoic acid
Molecular weight	636.794
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	1.4
Synonyms	BDBM50307577 (4S)4-[({4-[4-(Dimethylamino)piperidin-1-yl]-6-phenylpyridin-2-yl}carbonyl)amino]-5-oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}pentanoic Acid
Inchi Key	BPBAHOWWDVNYKR-NDEPHWFRSA-N
Inchi ID	InChI=1S/C34H48N6O6/c1-4-5-9-22-46-34(45)40-20-18-39(19-21-40)33(44)28(12-13-31(41)42)36-32(43)30-24-27(38-16-14-26(15-17-38)37(2)3)23-29(35-30)25-10-7-6-8-11-25/h6-8,10-11,23-24,26,28H,4-5,9,12-22H2,1-3H3,(H,36,43)(H,41,42)/t28-/m0/s1
PubChem CID	45141772
ChEMBL	CHEMBL589198
IUPHAR	N/A
BindingDB	50307577
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
29362	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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