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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	CHEMBL436649
Molecular formula	C27H29ClN6O5
IUPAC name	methyl 6-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]hex-5-ynoate
Molecular weight	553.016
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	1.9
Synonyms	BDBM50377677
Inchi Key	SIECIRCONJTJAI-SASJIJFGSA-N
Inchi ID	InChI=1S/C27H29ClN6O5/c1-29-26(38)27-12-17(27)21(22(36)23(27)37)34-14-31-20-24(30-13-15-7-6-8-16(28)11-15)32-18(33-25(20)34)9-4-3-5-10-19(35)39-2/h6-8,11,14,17,21-23,36-37H,3,5,10,12-13H2,1-2H3,(H,29,38)(H,30,32,33)/t17-,21-,22+,23+,27+/m1/s1
PubChem CID	44449007
ChEMBL	CHEMBL436649
IUPHAR	N/A
BindingDB	50377677
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
314973	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
314975	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
314974	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
314976	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
314972	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
454200	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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