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Ligand

NameLanreotide
Molecular formulaC54H69N11O10S2
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 weight1096.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP2.5
SynonymsIpstyl
108736-35-2
Autogel
Somatulin
Lanreotide Autogel
[ Show all ]
Inchi KeyPUDHBTGHUJUUFI-SCTWWAJVSA-N
Inchi IDInChI=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 CID6918011
ChEMBLCHEMBL1201185
IUPHARN/A
BindingDB82470
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
268942Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
452334Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556521Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
556522Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
268939Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
268941Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
268945Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
268940Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
268944Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461548Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
268938Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
268943Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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