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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	CHEMBL601692
Molecular formula	C37H52N6O6
IUPAC name	(4S)-5-oxo-5-(4-pentoxycarbonylpiperazin-1-yl)-4-[[6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-2-carbonyl]amino]pentanoic acid
Molecular weight	676.859
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.1
Synonyms	(4S)-5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-[({6-phenyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-yl}-carbonyl)amino]pentanoic Acid BDBM50307002 (S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(4-(pyrrolidin-1-ylmethyl)piperidin-1-yl)picolinamido)pentanoic acid
Inchi Key	BDSUWXPQUDLPGI-HKBQPEDESA-N
Inchi ID	InChI=1S/C37H52N6O6/c1-2-3-9-24-49-37(48)43-22-20-42(21-23-43)36(47)31(12-13-34(44)45)39-35(46)33-26-30(25-32(38-33)29-10-5-4-6-11-29)41-18-14-28(15-19-41)27-40-16-7-8-17-40/h4-6,10-11,25-26,28,31H,2-3,7-9,12-24,27H2,1H3,(H,39,46)(H,44,45)/t31-/m0/s1
PubChem CID	45142217
ChEMBL	CHEMBL601692
IUPHAR	N/A
BindingDB	50307002
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
21220	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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