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Name | SA V |
---|---|
Molecular formula | C46H62N8O6 |
IUPAC name | 3-(8-aminooctyl)-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 | 823.052 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 8 |
XlogP | 4.6 |
Synonyms | BDBM84641 c[Aoc-Phe-D-Trp-Lys-Thr(Bzl)] |
Inchi Key | BANRIDLUSUCXCO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C46H62N8O6/c1-31(60-30-33-19-10-7-11-20-33)41-46(59)51-38(24-16-26-48)42(55)53-40(28-34-29-49-36-22-14-13-21-35(34)36)45(58)52-39(27-32-17-8-6-9-18-32)44(57)50-37(43(56)54-41)23-12-4-2-3-5-15-25-47/h6-11,13-14,17-22,29,31,37-41,49H,2-5,12,15-16,23-28,30,47-48H2,1H3,(H,50,57)(H,51,59)(H,52,58)(H,53,55)(H,54,56) |
PubChem CID | 57339802 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 84641 |
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 |
---|---|---|---|---|---|
19009 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
555554 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
19011 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
19010 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
19008 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
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