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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	CHEMBL2172278
Molecular formula	C26H33N5O9
IUPAC name	(4S)-5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
Molecular weight	559.576
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	1.6
Synonyms	AMKNFZWJYVUBKH-IBGZPJMESA-N 4-{(S)-4-Carboxy-2-[(5-ethoxycarbonylmethoxy-1-phenyl-1H-pyrazole-3-carbonyl)-amino]-butyryl}-piperazine-1-carboxylic acid ethyl ester BDBM50397201 SCHEMBL1143855
Inchi Key	AMKNFZWJYVUBKH-IBGZPJMESA-N
Inchi ID	InChI=1S/C26H33N5O9/c1-3-38-23(34)17-40-21-16-20(28-31(21)18-8-6-5-7-9-18)24(35)27-19(10-11-22(32)33)25(36)29-12-14-30(15-13-29)26(37)39-4-2/h5-9,16,19H,3-4,10-15,17H2,1-2H3,(H,27,35)(H,32,33)/t19-/m0/s1
PubChem CID	44125995
ChEMBL	CHEMBL2172278
IUPHAR	N/A
BindingDB	50397201
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
8989	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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