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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	Cgp-36742
Molecular formula	C7H18NO2P
IUPAC name	3-aminopropyl(butyl)phosphinic acid
Molecular weight	179.2
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	-2.7
Synonyms	3-aminopropyl(butyl)-phosphinic acid BDBM50032982 D0D6FQ LS-173250 SC-51053 3-aminopropyl(n-butyl)-phosphinic acid CGP36742 DTXSID10154063 ONNMDRQRSGKZCN-UHFFFAOYSA-N SGS-742 (3-Amino-propyl)-butyl-phosphinic acid 123690-78-8 CHEMBL112797 GTPL1085 Phosphinic acid, (3-aminopropyl)butyl- ZINC26982268 3-aminopropyl(butyl)phosphinic acid Cgp 36742 LS-183981 SCHEMBL195133 3-aminopropyl(n-butyl)phosphinic acid CGP36742, >=97% (NMR) DVD-742 PDSP1_001479 SGS742 (3-Aminopropyl)(n-butyl)phosphinic acid 145537-81-1 AC1L2WMW CTK8G9848 L000169 Phosphinic acid,(3-aminopropyl)butyl- 3-aminopropyl(n-butyl) phosphinic acid DB05010 Lu-AE-58479 SGS 742 (3-Aminopropyl)butylphosphinic acid 3-aminopropyl-butylphosphinic acid GBZ5UC0RME PDSP2_001463 UNII-GBZ5UC0RME [ Show all ]
Inchi Key	ONNMDRQRSGKZCN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
PubChem CID	130021
ChEMBL	CHEMBL112797
IUPHAR	N/A
BindingDB	50032982
DrugBank	DB05010
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	0.0 %	PMID7650685	ChEMBL

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