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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	CHEMBL3670936
Molecular formula	C33H45N5O4
IUPAC name	tert-butyl N-[2-[4-[(E)-3-[4-[(2-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]phenyl]prop-2-enyl]-4-hydroxypiperidin-1-yl]-2-oxoethyl]-N-methylcarbamate
Molecular weight	575.754
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.9
Synonyms	US8748435, 7 BDBM123482 SCHEMBL12802607 [2-(4-{(E)-3-[4-(2-ethyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-phenyl]-allyl}-4-hydroxy-piperidin-1-yl)-2-oxo-ethyl]-methyl-carbamic acid tert-butyl ester SCHEMBL12802608 APNDVRBAKRJWQQ-MDZDMXLPSA-N [ Show all ]
Inchi Key	APNDVRBAKRJWQQ-MDZDMXLPSA-N
Inchi ID	InChI=1S/C33H45N5O4/c1-8-28-27(30-34-23(2)20-24(3)38(30)35-28)21-26-13-11-25(12-14-26)10-9-15-33(41)16-18-37(19-17-33)29(39)22-36(7)31(40)42-32(4,5)6/h9-14,20,41H,8,15-19,21-22H2,1-7H3/b10-9+
PubChem CID	68379132
ChEMBL	CHEMBL3670936
IUPHAR	N/A
BindingDB	123482
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
11143	G-protein coupled receptor 4	P46093	GPR4	Homo sapiens (Human)	362

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