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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	CHEMBL175543
Molecular formula	C20H20Cl2N6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	463.319
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	2.0
Synonyms	MRS-5358 BDBM50163020 (1S,2R,3S,4R,5S)-4-[2-Chloro-6-(3-chloro-benzylamino)-purin-9-yl]-2,3-dihydroxy-bicyclo[3.1.0]hexane-1-carboxylic acid methylamide MRS 3558 MRS3558 CF502 (1S,2R,3S,4R,5S)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide D0I5VA MRS-3558 (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-chloro-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide 1N-methyl-4-[2-chloro-6-(3-chlorobenzylamino)-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide GTPL5601 [ Show all ]
Inchi Key	GAYWHRPOIWFKIF-DDDALXFXSA-N
Inchi ID	InChI=1S/C20H20Cl2N6O3/c1-23-18(31)20-6-11(20)13(14(29)15(20)30)28-8-25-12-16(26-19(22)27-17(12)28)24-7-9-3-2-4-10(21)5-9/h2-5,8,11,13-15,29-30H,6-7H2,1H3,(H,23,31)(H,24,26,27)/t11-,13-,14+,15+,20+/m1/s1
PubChem CID	11248240
ChEMBL	CHEMBL175543
IUPHAR	5601
BindingDB	50163020
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
538284	5-hydroxytryptamine receptor 2B	P41595	HTR2B	Homo sapiens (Human)	481
92061	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
92063	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
92062	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
92065	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
92066	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
92064	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
92067	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
92068	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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