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Name | Lanreotide |
---|---|
Molecular formula | C54H69N11O10S2 |
IUPAC name | (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide |
Molecular weight | 1096.33 |
Hydrogen bond acceptor | 14 |
Hydrogen bond donor | 13 |
XlogP | 2.5 |
Synonyms | Lanreotide [INN:BAN] 3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Val-L-Cys(1)-L-Thr-NH2 L-Threoninamide, 3-(2-naphthalenyl)-D-alanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-valyl-L-cysteinyl-, cyclic (2-7)-disulfide Nal-cyclo(cys-tyr-trp-lys-val-cys)-thr-NH2 118992-92-0 [ Show all ] |
Inchi Key | PUDHBTGHUJUUFI-SCTWWAJVSA-N |
Inchi ID | InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1 |
PubChem CID | 6918011 |
ChEMBL | CHEMBL1201185 |
IUPHAR | N/A |
BindingDB | 82470 |
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 |
---|---|---|---|---|---|
268942 | Somatostatin receptor type 1 | P30872 | SSTR1 | Homo sapiens (Human) | 391 |
452334 | Somatostatin receptor type 2 | P30874 | SSTR2 | Homo sapiens (Human) | 369 |
556521 | Somatostatin receptor type 2 | P30680 | Sstr2 | Rattus norvegicus (Rat) | 369 |
556522 | Somatostatin receptor type 2 | P30875 | Sstr2 | Mus musculus (Mouse) | 369 |
268939 | Somatostatin receptor type 3 | P32745 | SSTR3 | Homo sapiens (Human) | 418 |
268941 | Somatostatin receptor type 3 | P30935 | Sstr3 | Mus musculus (Mouse) | 428 |
268945 | Somatostatin receptor type 3 | P30936 | Sstr3 | Rattus norvegicus (Rat) | 428 |
268940 | Somatostatin receptor type 4 | P31391 | SSTR4 | Homo sapiens (Human) | 388 |
268944 | Somatostatin receptor type 4 | P30937 | Sstr4 | Rattus norvegicus (Rat) | 384 |
461548 | Somatostatin receptor type 4 | P49660 | Sstr4 | Mus musculus (Mouse) | 385 |
268938 | Somatostatin receptor type 5 | P35346 | SSTR5 | Homo sapiens (Human) | 364 |
268943 | Somatostatin receptor type 5 | P30938 | Sstr5 | Rattus norvegicus (Rat) | 363 |
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