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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	N6-Cyclohexyladenosine
Molecular formula	C16H23N5O4
IUPAC name	(2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	349.391
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.4
Synonyms	SR-01000075797 AC-27401 KB-206469 N6 -cyclohexyladenosine NCGC00261016-01 PDSP1_001025 SZBULDQSDUXAPJ-XNIJJKJLSA-N 2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol AKOS016009588 D02JCM MFCD00036808 n6-cyclohexyl[3h]adenosine PDSP2_001009 4616AB C16H23N5O4 HMS3261C03 N-6-cyclohexyladenosine NCGC00093771-03 PDSP1_000670 SR-01000075797-1 (2R,3R,4S,5R)-2-(6-(Cyclohexylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol Adenosine, N-cyclohexyl- CHEMBL45891 Lopac0_000331 PDSP2_000660 Tox21_500331 36396-99-3 BDBM50009552 EU-0100331 MolPort-027-835-536 NCGC00093771-01 SCHEMBL145856 CCG-204426 HY-18939 n-cyclohexyladenosine NCGC00093771-04 PDSP1_001023 ST24026156 (2R,3R,4S,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol AJ-48997 CS-5050 LP00331 N6-Cyclohexylado (CHA) PDSP2_001007 ZINC4217017 C 9901 GTPL423 N(6)-Cyclohexyladenosine NCGC00093771-02 [ Show all ]
Inchi Key	SZBULDQSDUXAPJ-XNIJJKJLSA-N
Inchi ID	InChI=1S/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/m1/s1
PubChem CID	9841284
ChEMBL	CHEMBL45891
IUPHAR	423
BindingDB	50009552
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	1.816 -	PMID18321038	ChEMBL
EC50	52602.0 nM	PMID18321038	BindingDB
Ki	160000.0 nM	PMID6253037	IUPHAR
logEC50	-4.279 -	PMID18321038	ChEMBL

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