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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	CHEMBL434328
Molecular formula	C27H26Cl2N6O4
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-chloro-6-[(5-chloro-2-phenylmethoxyphenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	569.443
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.5
Synonyms	1N-methyl-4-[6-(2-benzyloxy-5-chlorobenzylamino)-2-chloro-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide CHEMBL2368369 BDBM50163006
Inchi Key	DGZKRHKJMSCQBD-PFBLAMEFSA-N
Inchi ID	InChI=1S/C27H26Cl2N6O4/c1-30-25(38)27-10-17(27)20(21(36)22(27)37)35-13-32-19-23(33-26(29)34-24(19)35)31-11-15-9-16(28)7-8-18(15)39-12-14-5-3-2-4-6-14/h2-9,13,17,20-22,36-37H,10-12H2,1H3,(H,30,38)(H,31,33,34)/t17-,20-,21+,22+,27-/m1/s1
PubChem CID	73352883
ChEMBL	CHEMBL2368369
IUPHAR	N/A
BindingDB	50163006
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
59761	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
59759	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
59760	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
59758	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
59762	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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