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Name | alpha,beta-Methylene ATP |
---|---|
Molecular formula | C11H18N5O12P3 |
IUPAC name | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid |
Molecular weight | 505.209 |
Hydrogen bond acceptor | 16 |
Hydrogen bond donor | 7 |
XlogP | -5.9 |
Synonyms | (((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryloxy)(hydroxy)phosphoryl)methylphosphonic acid 5'-(Hydrogen((hydroxy(phosphonooxy)phosphinyl)methyl)phosphonate)adenosine a,b-Methyleneadenosine 5'-triphosphate Adenosine 5'-O-[.alpha., .beta.-methylene]-triphosphate Alpha,Beta Methylene ATP [ Show all ] |
Inchi Key | CAWZRIXWFRFUQB-IOSLPCCCSA-N |
Inchi ID | InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 |
PubChem CID | 91557 |
ChEMBL | CHEMBL132722 |
IUPHAR | N/A |
BindingDB | 50118221 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
443176 | Adenosine receptor A3 | P0DMS8 | ADORA3 | Homo sapiens (Human) | 318 |
37597 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
37598 | P2Y purinoceptor 12 | Q9EPX4 | P2ry12 | Rattus norvegicus (Rat) | 343 |
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