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Ligand

NameSomatostatin-14
Molecular formulaC76H104N18O19S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S,28R,31S,34R,37S)-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
SynonymsSOMATOSTATIN
SRIF14
CHEMBL411836
BDBM50019568
Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys)-OH
[ Show all ]
Inchi KeyNHXLMOGPVYXJNR-FMGBKAQLSA-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 CID44291156
ChEMBLN/A
IUPHARN/A
BindingDB50019568
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
223718Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
223720Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
556354Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556355Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
223719Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
223722Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
223716Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
223721Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
223717Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
223723Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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