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Ligand

NameSOMATOSTATIN
Molecular formulaC76H104N18O19S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Molecular weight1637.9
Hydrogen bond acceptor24
Hydrogen bond donor22
XlogP-3.1
Synonyms38916-34-6
Somatostatine
Cyclic Somatostatin
Somatostatina
Somatostatinum
[ Show all ]
Inchi KeyNHXLMOGPVYXJNR-ATOGVRKGSA-N
Inchi IDInChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
PubChem CID16129706
ChEMBLCHEMBL1823872
IUPHARN/A
BindingDB81767
DrugBankDB09099

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: 15
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
223713Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
223714Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
223704Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
223715Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
223705Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
223709Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556353Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
223707Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
223708Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
223712Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
223706Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
223710Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461168Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
223703Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
223711Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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