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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	CHEMBL2401954
Molecular formula	C28H25ClN6O6S
IUPAC name	4-[2-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]ethynyl]benzenesulfonic acid
Molecular weight	609.054
Hydrogen bond acceptor	10
Hydrogen bond donor	5
XlogP	1.8
Synonyms	BDBM50437188
Inchi Key	VCBOOPKKNOXUFP-WANRRHMFSA-N
Inchi ID	InChI=1S/C28H25ClN6O6S/c1-30-27(38)28-12-19(28)22(23(36)24(28)37)35-14-32-21-25(31-13-16-3-2-4-17(29)11-16)33-20(34-26(21)35)10-7-15-5-8-18(9-6-15)42(39,40)41/h2-6,8-9,11,14,19,22-24,36-37H,12-13H2,1H3,(H,30,38)(H,31,33,34)(H,39,40,41)/t19-,22-,23+,24+,28+/m1/s1
PubChem CID	57524978
ChEMBL	CHEMBL2401954
IUPHAR	N/A
BindingDB	50437188
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
351326	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
351327	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
351325	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
351328	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
351324	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
455672	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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