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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	CHEMBL2172131
Molecular formula	C34H46N8O8
IUPAC name	ethyl 4-[(2S)-4-acetamido-2-[[5-[2-[(2S)-2-(cyclobutylcarbamoyl)pyrrolidin-1-yl]-2-oxoethoxy]-1-phenylpyrazole-3-carbonyl]amino]butanoyl]piperazine-1-carboxylate
Molecular weight	694.79
Hydrogen bond acceptor	9
Hydrogen bond donor	3
XlogP	1.4
Synonyms	APIFTIXALFFAGR-XCZPVHLTSA-N 4-[(S)-4-Acetylamino-2-({5-[2-((S)-2-cyclobutylcarbamoyl-pyrrolidin-1-yl)-2-oxo-ethoxy]-1-phenyl-1H-pyrazole-3-carbonyl}-amino)-butyryl]-piperazine-1-carboxylic acid ethyl ester BDBM50397154 SCHEMBL954442
Inchi Key	APIFTIXALFFAGR-XCZPVHLTSA-N
Inchi ID	InChI=1S/C34H46N8O8/c1-3-49-34(48)40-19-17-39(18-20-40)33(47)26(14-15-35-23(2)43)37-31(45)27-21-30(42(38-27)25-11-5-4-6-12-25)50-22-29(44)41-16-8-13-28(41)32(46)36-24-9-7-10-24/h4-6,11-12,21,24,26,28H,3,7-10,13-20,22H2,1-2H3,(H,35,43)(H,36,46)(H,37,45)/t26-,28-/m0/s1
PubChem CID	44128900
ChEMBL	CHEMBL2172131
IUPHAR	N/A
BindingDB	50397154
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
11005	P2Y purinoceptor 12	Q9H244	P2RY12	Homo sapiens (Human)	342

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