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Name | Adenosine receptor A1 |
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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 [ 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 |
Name | CHEMBL27502 |
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Molecular formula | C17H23N5O2 |
IUPAC name | (1R,2S,4S,5S)-4-[6-(cyclopentylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexan-2-ol |
Molecular weight | 329.404 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 1.5 |
Synonyms | BDBM50100422 N-Cyclopentyl-9-[(1beta)-4alpha-hydroxy-5beta-(hydroxymethyl)bicyclo[3.1.0]hexane-2beta-yl]-9H-purine-6-amine (1R,2S,4S,5S)-4-(6-Cyclopentylamino-purin-9-yl)-1-hydroxymethyl-bicyclo[3.1.0]hexan-2-ol |
Inchi Key | AKUOJWDGUSDCKF-XREXNNHRSA-N |
Inchi ID | InChI=1S/C17H23N5O2/c23-7-17-6-11(17)12(5-13(17)24)22-9-20-14-15(18-8-19-16(14)22)21-10-3-1-2-4-10/h8-13,23-24H,1-7H2,(H,18,19,21)/t11-,12+,13+,17+/m1/s1 |
PubChem CID | 44276002 |
ChEMBL | CHEMBL27502 |
IUPHAR | N/A |
BindingDB | 50100422 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 2890.0 nM | PMID11392549 | BindingDB,ChEMBL |
Efficacy | 30.0 % | PMID11392549 | ChEMBL |
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