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GPCR

Name	Adenosine receptor A2b
Species	Homo sapiens (Human)
Gene	ADORA2B
Synonym	adenosine receptor A2b A2BR A2B receptor A2b
Disease	Paroxysmal supraventricular tachycardia Non-insulin dependent diabetes Hypertension Herpes simplex virus infection Apnea Asthma [ Show all ]
Length	332
Amino acid sequence	MLLETQDALYVALELVIAALSVAGNVLVCAAVGTANTLQTPTNYFLVSLAAADVAVGLFAIPFAITISLGFCTDFYGCLFLACFVLVLTQSSIFSLLAVAVDRYLAICVPLRYKSLVTGTRARGVIAVLWVLAFGIGLTPFLGWNSKDSATNNCTEPWDGTTNESCCLVKCLFENVVPMSYMVYFNFFGCVLPPLLIMLVIYIKIFLVACRQLQRTELMDHSRTTLQREIHAAKSLAMIVGIFALCWLPVHAVNCVTLFQPAQGKNKPKWAMNMAILLSHANSVVNPIVYAYRNRDFRYTFHKIISRYLLCQADVKSGNGQAGVQPALGVGL
UniProt	P29275
Protein Data Bank	N/A
GPCR-HGmod model	P29275
3D structure model	This predicted structure model is from GPCR-EXP P29275.
BioLiP	N/A
Therapeutic Target Database	T86679
ChEMBL	CHEMBL255
IUPHAR	20
DrugBank	BE0000241

Ligand

Name	Cgs 15943
Molecular formula	C13H8ClN5O
IUPAC name	9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight	285.691
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	Tox21_500324 9-chloro-2-(furan-2-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AKOS015906465 CCG-100792 HMS2051C13 Lopac0_000324 NCGC00015193-01 NCGC00025264-02 SCHEMBL1906971 9-Chloro-2-(2-furanyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-amine 9-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine [1,2,4]Triazolo[1,5-c]quinazolin-5-amine,9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) B6835 CGS-15943 CTK4A3171 HMS3393C13 MLS000758223 NCGC00015193-04 NCGC00261009-01 (1,2,4)Triazolo(1,5-c)quinazolin-5-amine, 9-chloro-2-(2-furanyl)- SR-01000075210 SYN5006 9-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AC1Q3MS4 BRD-K49049886-001-03-8 CHEBI:131351 EU-0100324 L000176 MSJODEOZODDVGW-UHFFFAOYSA-N NCGC00015193-07 PDSP2_001076 ZINC3872013 9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine AOB33765 CHEMBL16687 HMS3261A09 LP00324 NCGC00015193-02 NCGC00025264-03 SCHEMBL3844736 9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine [9-chloro-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-amine 9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) BDBM50004566 CGS-15943, solid D0Q6WX I14-22041 MLS001423961 NCGC00015193-05 Nonnucleoside analog, 4 SR-01000075210-1 Tocris-1699 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine ACMC-20ddlj C-199 CHEBI:92849 GTPL384 Lopac-C-199 NC00042 NCGC00025264-01 SAM001246973 [1,2,4]Triazolo[1,5-c]quinazolin-5-amine, 9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine AS-16373 CGS 15943A CPD000449284 HMS3268O19 LS-184727 NCGC00015193-03 NCGC00025264-04 SMR000449284 9-chloro-2-(2-furanyl)-5,6-dihydro-1,2,4-triazolo (1,5-c)quinazolin-5-imine 9-chloro-2-(2-furyl)-5-imino-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline AC1L1E8T BN0142 CGS15943 DTXSID80146617 J-001205 MolPort-003-940-664 NCGC00015193-06 PDSP1_001092 104615-18-1 SR-01000075210-3 [ Show all ]
Inchi Key	MSJODEOZODDVGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
PubChem CID	2690
ChEMBL	CHEMBL16687
IUPHAR	384
BindingDB	50004566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
A2	15.8489 nM	PMID8937736	IUPHAR
IC50	1200.0 nM	PMID9667972	BindingDB,ChEMBL
Inhibition	100.0 %	PMID9667972	ChEMBL
Kd	10.0 nM	PMID9667972	BindingDB,ChEMBL
Ki	7.94328 - 1000.0 nM	PMID9459566, PMID9933143, PMID11266650, PMID15194002, PMID10624567, PMID19141710	IUPHAR
Ki	9.8 nM	PMID19569717	BindingDB
Ki	9.8 nM	PMID19569717	ChEMBL
Ki	9.8 nM	PMID19569717	PDSP
Ki	16.4 nM	PMID19569717	ChEMBL
Ki	16.4 nM	PMID19569717	BindingDB
Ki	16.4 nM	PMID19569717	PDSP
Ki	23.0 nM	PMID11123985	BindingDB,ChEMBL
Ki	30.0 nM	PMID19569717	PDSP,BindingDB,ChEMBL
Ki	34.2 nM	PMID19569717	BindingDB,ChEMBL
Ki	34.2 nM	PMID19569717	PDSP
Ki	44.0 nM	PMID24164628, PMID9933143	PDSP,BindingDB,ChEMBL

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