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Name | Adenosine receptor A1 |
---|---|
Species | Cavia porcellus (Guinea pig) |
Gene | ADORA1 |
Synonym | N/A |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD |
UniProt | P47745 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL2304404 |
IUPHAR | N/A |
DrugBank | N/A |
Name | NECA |
---|---|
Molecular formula | C12H16N6O4 |
IUPAC name | (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide |
Molecular weight | 308.298 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | -0.7 |
Synonyms | [3H]NECA 1-(6-Amino-9H-purin-9-yl)-1-deoxy-N-ethyl-beta-D-ribofuranuronamide 5'-ethylcarboxamidoadenosine AC1L9LQM beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-ethyl- [ Show all ] |
Inchi Key | JADDQZYHOWSFJD-FLNNQWSLSA-N |
Inchi ID | InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 |
PubChem CID | 448222 |
ChEMBL | CHEMBL464859 |
IUPHAR | 425, 377 |
BindingDB | 21220 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 63.1 nM | PMID2016707 | ChEMBL |
EC50 | 63.1 nM | PMID2016707 | BindingDB |
Ki | 1.0 nM | PMID10714510 | BindingDB,ChEMBL |
Ki | 1.8 nM | PMID2067592 | BindingDB |
Ki | 5.3 nM | PMID2067592 | BindingDB |
Ki | 129.0 nM | PMID2067592 | BindingDB |
Ki | 161.0 nM | PMID2067592 | BindingDB |
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