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Name | SA IV |
---|---|
Molecular formula | C44H58N8O6 |
IUPAC name | 3-(6-aminohexyl)-12-(3-aminopropyl)-6-benzyl-9-(1H-indol-3-ylmethyl)-15-(1-phenylmethoxyethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone |
Molecular weight | 794.998 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 8 |
XlogP | 3.5 |
Synonyms | BDBM84642 c[Ahx-Phe-D-Trp-Lys-Thr(Bzl)] |
Inchi Key | MAQSHQBMZUYLRL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C44H58N8O6/c1-29(58-28-31-17-8-5-9-18-31)39-44(57)49-36(22-14-24-46)40(53)51-38(26-32-27-47-34-20-12-11-19-33(32)34)43(56)50-37(25-30-15-6-4-7-16-30)42(55)48-35(41(54)52-39)21-10-2-3-13-23-45/h4-9,11-12,15-20,27,29,35-39,47H,2-3,10,13-14,21-26,28,45-46H2,1H3,(H,48,55)(H,49,57)(H,50,56)(H,51,53)(H,52,54) |
PubChem CID | 57339803 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 84642 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
200929 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
556276 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
200931 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
200928 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
200930 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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