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Name | Adenosine receptor A1 |
---|---|
Species | Rattus norvegicus (Rat) |
Gene | Adora1 |
Synonym | A1 receptor A1-AR A1R adenosine receptor A1 RDC7 |
Disease | N/A for non-human GPCRs |
Length | 326 |
Amino acid sequence | MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED |
UniProt | P25099 |
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 | CHEMBL318 |
IUPHAR | 18 |
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 | Adenosine-5-(N-ethylcarboxamide) CS-8131 MFCD00069195 NCGC00025260-03 SCHEMBL16585523 [ 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 | 377, 425 |
BindingDB | 21220 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 54.8 nM | PMID8863798, PMID8201607 | ChEMBL |
EC50 | 55.0 nM | PMID8863798, PMID8201607, PMID7658444 | BindingDB,ChEMBL |
EC50 | 87.0 nM | PMID9871584 | BindingDB |
EC50 | 87.2 nM | PMID9871584 | ChEMBL |
EC50 | 54800.0 nM | PMID7739005 | BindingDB,ChEMBL |
IC50 | 2.4 nM | PMID3351850 | BindingDB,ChEMBL |
IC50 | 10.0 nM | PMID2374150 | BindingDB,ChEMBL |
IC50 | 10.2 nM | PMID3018244 | BindingDB,ChEMBL |
IC50 | 16.0 nM | PMID1875349 | BindingDB,ChEMBL |
IC50 | 200.0 nM | PMID3373486 | BindingDB,ChEMBL |
IC50 | 2460.0 nM | PMID3351850 | BindingDB,ChEMBL |
IC50 | 52000.0 nM | PMID3351851 | BindingDB,ChEMBL |
IC50 | 90000.0 nM | PMID3351851 | BindingDB,ChEMBL |
Inhibition | 0.93 % | PMID3373486 | ChEMBL |
Ki | 3.7 nM | PMID2067592 | BindingDB |
Ki | 5.1 nM | PMID24900277, PMID1554381, PMID23245803 | BindingDB,ChEMBL |
Ki | 6.24 nM | PMID2995663 | BindingDB,ChEMBL |
Ki | 6.26 nM | PMID3010074 | BindingDB |
Ki | 6.3 nM | PMID3336027, PMID8126704, PMID1738138, PMID3385722, PMID9703463, PMID9667957 | BindingDB,ChEMBL |
Ki | 7.7 nM | PMID11170630 | BindingDB,ChEMBL |
Ki | 8.2 nM | PMID3373486 | BindingDB |
Ki | 8.2 nM | PMID3373486, PMID1619615 | BindingDB,ChEMBL |
Ki | 8.3 nM | PMID1495019 | BindingDB,ChEMBL |
Ki | 10.0 nM | PMID7739005, PMID7658444, PMID8863798, PMID2795469, PMID1433217, PMID8201607 | BindingDB |
Ki | 10.3 nM | PMID1433217 | ChEMBL |
Ki | 10.4 nM | PMID7739005, PMID8863798, PMID8201607, PMID7658444 | ChEMBL |
Ki | 11.0 nM | PMID1619615 | ChEMBL |
Ki | 13.0 nM | PMID1732541 | BindingDB |
Ki | 13.3 nM | PMID1732541, PMID11170643 | BindingDB,ChEMBL |
Ki | 62.0 nM | PMID7582508 | BindingDB |
Ki | 63.0 nM | PMID22486652, PMID11784146, PMID7707320, PMID10212124 | BindingDB,ChEMBL |
Ki | 88.0 nM | PMID7582508 | BindingDB |
Ki | 170.0 nM | PMID2067592 | BindingDB |
Ki | 530.0 nM | PMID10212124 | BindingDB,ChEMBL |
Ki | 650.0 nM | PMID1619615 | BindingDB,ChEMBL |
Ki | 1257.0 nM | PMID2362269 | BindingDB,ChEMBL |
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