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Name | BDBM82462 |
---|---|
Molecular formula | C54H68N12O12S2 |
IUPAC name | (7S,10R,13S,16S)-13-(4-aminobutyl)-3-N-(1-amino-4-hydroxy-3-methyl-1-oxobutan-2-yl)-19-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-7-[(4-hydroxyphenyl)methyl]-16-(1-hydroxypropan-2-yl)-10-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1,2-dithia-4,6,9,12,15,18-hexazacyclononadecane-3,19-dicarboxamide |
Molecular weight | 1141.33 |
Hydrogen bond acceptor | 15 |
Hydrogen bond donor | 15 |
XlogP | 1.5 |
Synonyms | BIM 23059 D-Nal-c[Cys-Tyr-D-Trp-Lys-Thr-Cys]-Thr-NH2 |
Inchi Key | RDICEKIOKMLMQV-OOMHNQPKSA-N |
Inchi ID | InChI=1S/C54H68N12O12S2/c1-28(26-67)42(45(57)71)63-51(77)53-66-54(78)62-40(22-30-15-18-35(69)19-16-30)47(73)61-41(24-34-25-58-37-12-6-5-11-36(34)37)48(74)59-38(13-7-8-20-55)46(72)64-43(29(2)27-68)49(75)65-52(79-80-53)50(76)60-39(44(56)70)23-31-14-17-32-9-3-4-10-33(32)21-31/h3-6,9-12,14-19,21,25,28-29,38-43,52-53,58,67-69H,7-8,13,20,22-24,26-27,55H2,1-2H3,(H2,56,70)(H2,57,71)(H,59,74)(H,60,76)(H,61,73)(H,63,77)(H,64,72)(H,65,75)(H2,62,66,78)/t28?,29?,38-,39-,40-,41+,42?,43-,52?,53?/m0/s1 |
PubChem CID | 57339671 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 82462 |
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 |
---|---|---|---|---|---|
293363 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
556617 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
556618 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
293358 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
293362 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
293361 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
293364 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
461729 | Somatostatin receptor type 4 | P49660 | Sstr4 | Mus musculus (Mouse) | 385 |
293359 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
293360 | Somatostatin receptor type 5 | P30938 | Sstr5 | Rattus norvegicus (Rat) | 363 |
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