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GPCR

Name	Adenosine receptor A1
Species	Homo sapiens (Human)
Gene	ADORA1
Synonym	RDC7 A1 receptor A1-AR A1R adenosine receptor A1
Disease	Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes Fatigue; Orthostatic hypotension Glaucoma Heart failure Autoimmune diabetes Atrial fibrillation; Cardiac arrhythmias Atrial fibrillation Sepsis Renal failure Parkinson's disease Neuropathic pain Acute and chronic heart failure Multiple scierosis Hypertriglyceridemia Allergy Asthma Hyperlipidaemia [ Show all ]
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProt	P30542
Protein Data Bank	6d9h, 5n2s
GPCR-HGmod model	P30542
3D structure model	This structure is from PDB ID 6d9h.
BioLiP	BL0385576, BL0417675
Therapeutic Target Database	T88714, T92072
ChEMBL	CHEMBL226
IUPHAR	18
DrugBank	BE0000013

Ligand

Name	CHEMBL218326
Molecular formula	C18H19N9O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)-2-(4-pyridin-2-yltriazol-1-yl)purin-9-yl]oxolane-3,4-diol
Molecular weight	425.409
Hydrogen bond acceptor	11
Hydrogen bond donor	4
XlogP	-0.9
Synonyms	CTK3I1597 Adenosine, N-methyl-2-[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]- N6-methyl-2-[4-pyridin-2-yl-1,2,3-triazol-1-yl]-9-(beta-D-ribofuranosyl)adenine DTXSID00582396 AKOS030575561 906670-52-8 N-Methyl-2-[4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl]adenosine BDBM50199968 [ Show all ]
Inchi Key	BFNBQDWOBYWSKD-LSCFUAHRSA-N
Inchi ID	InChI=1S/C18H19N9O4/c1-19-15-12-16(26(8-21-12)17-14(30)13(29)11(7-28)31-17)23-18(22-15)27-6-10(24-25-27)9-4-2-3-5-20-9/h2-6,8,11,13-14,17,28-30H,7H2,1H3,(H,19,22,23)/t11-,13-,14-,17-/m1/s1
PubChem CID	16094549
ChEMBL	CHEMBL218326
IUPHAR	N/A
BindingDB	50199968
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1970.0 nM	PMID17149867	BindingDB,ChEMBL

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