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Name | CHEMBL2364736 |
---|---|
Molecular formula | C11H14N5O13P3S-4 |
IUPAC name | [[[(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate |
Molecular weight | 549.236 |
Hydrogen bond acceptor | 18 |
Hydrogen bond donor | 3 |
XlogP | -5.2 |
Synonyms | NCGC00024975-02 BDBM50422408 NCGC00024975-03 2-Methylthioadenosine triphosphate tetrasodium |
Inchi Key | XNOBOKJVOTYSJV-KQYNXXCUSA-J |
Inchi ID | InChI=1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/p-4/t4-,6-,7-,10-/m1/s1 |
PubChem CID | 23279499 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50422408 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
396469 | P2Y purinoceptor 1 | P49651 | P2ry1 | Rattus norvegicus (Rat) | 373 |
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