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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	BW-A1433
Molecular formula	C20H22N4O4
IUPAC name	(E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid
Molecular weight	382.42
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.9
Synonyms	LS-123765 UGCOFEOEBHUEHA-JXMROGBWSA-N (E)-4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid Adenosine A2b receptor antagonists (diabetes), Pennsylvania State University CAS_129447 PDSP1_000446 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenyl)- BW A1433 D0O3SA SCHEMBL6555021 (E)-3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenyl]prop-2-enoic acid 4-(1,2,3,6-Tetrahydro-2,6-dioxo-1,3-dipropyl-9H-purin-8-yl)cinnamic acid AC1O5QYB BWA-1433 NSC_129447 106465-45-6 BDBM50037440 PDSP2_000306 (E)-3-(4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenyl)-2-propenoic acid 2-Propenoic acid, 3-(4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenyl)-, (E)- BW-A-1433 GTPL443 SCHEMBL6555024 (E)-3-[4-[(1,3-Dipropyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin)-8-yl]phenyl]propenoic acid Adenosine A2b receptor antagonists (coronary artery occlusion), Pennsylvania State University BWA1433 PDSP1_000308 121496-66-0 BDBM85036 CHEMBL16997 PDSP2_000444 (E)-3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid 3-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl]-acrylic acid [ Show all ]
Inchi Key	UGCOFEOEBHUEHA-JXMROGBWSA-N
Inchi ID	InChI=1S/C20H22N4O4/c1-3-11-23-18-16(19(27)24(12-4-2)20(23)28)21-17(22-18)14-8-5-13(6-9-14)7-10-15(25)26/h5-10H,3-4,11-12H2,1-2H3,(H,21,22)(H,25,26)/b10-7+
PubChem CID	6439089
ChEMBL	CHEMBL16997
IUPHAR	443
BindingDB	85036
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
336085	Adenosine receptor A1	P49892	ADORA1	Gallus gallus (Chicken)	324
336089	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
336091	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
336092	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
336088	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
336090	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
336086	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
336084	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
336087	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319
336093	Adenosine receptor A3	P35342	ADORA3	Ovis aries (Sheep)	317
336094	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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