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Name | Poly(2'-methylthioadenylic acid) |
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Molecular formula | C11H16N5O7PS |
IUPAC name | [(2R,3S,4R,5R)-5-(6-amino-2-methylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
Molecular weight | 393.311 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 5 |
XlogP | -2.7 |
Synonyms | 2-MeSAMP 70804-88-5 CTK5D3017 ZINC13473522 ((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate [ Show all ] |
Inchi Key | XVTFTCNRRAQHEQ-KQYNXXCUSA-N |
Inchi ID | InChI=1S/C11H16N5O7PS/c1-25-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(23-10)2-22-24(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1 |
PubChem CID | 189762 |
ChEMBL | CHEMBL606240 |
IUPHAR | 1764 |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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512510 | P2Y purinoceptor 1 | P49652 | P2RY1 | Meleagris gallopavo (Wild turkey) | 362 |
555284 | P2Y purinoceptor 12 | Q9H244 | P2RY12 | Homo sapiens (Human) | 342 |
555283 | P2Y purinoceptor 13 | Q9BPV8 | P2RY13 | Homo sapiens (Human) | 354 |
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