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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	CHEMBL3800558
Molecular formula	C37H41N5O4
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(4-tert-butylphenyl)ethynyl]-6-[(Z)-2-(4-tert-butylphenyl)-2-hydroxyethenyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	619.766
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	5.7
Synonyms	BDBM50163873
Inchi Key	AFESJHCGZYXQFV-KROJIVAZSA-N
Inchi ID	InChI=1S/C37H41N5O4/c1-35(2,3)23-13-8-21(9-14-23)10-17-28-40-26(18-27(43)22-11-15-24(16-12-22)36(4,5)6)29-33(41-28)42(20-39-29)30-25-19-37(25,34(46)38-7)32(45)31(30)44/h8-9,11-16,18,20,25,30-32,43-45H,19H2,1-7H3,(H,38,46)/b27-18-/t25-,30-,31+,32+,37+/m1/s1
PubChem CID	136048804
ChEMBL	CHEMBL3800558
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
557400	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
557401	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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