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Ligand

NameCHEMBL1161333
Molecular formulaC54H65N11O12S2
IUPAC name(4S,7S,10S,13S,17R,20R,23S,26R,29S)-29-amino-7,23,26-tribenzyl-17-hydroxy-10-[(1R)-1-hydroxyethyl]-20-(1H-indol-3-ylmethyl)-13,14-dimethyl-6,9,12,15,19,22,25,28-octaoxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonazacyclotriacontane-4-carboxylic acid
Molecular weight1124.3
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP0.3
SynonymsN/A
Inchi KeyAMSSXMFYNJXXDJ-HYJAQHSDSA-N
Inchi IDInChI=1S/C54H65N11O12S2/c1-30-45(67)62-44(31(2)66)51(73)60-41(25-34-19-11-6-12-20-34)49(71)61-43(52(74)75)29-79-78-28-37(55)46(68)57-39(23-32-15-7-4-8-16-32)47(69)58-40(24-33-17-9-5-10-18-33)48(70)59-42(50(72)63-53(76)64-54(77)65(30)3)26-35-27-56-38-22-14-13-21-36(35)38/h4-22,27,30-31,37,39-44,53,56,66,76H,23-26,28-29,55H2,1-3H3,(H,57,68)(H,58,69)(H,59,70)(H,60,73)(H,61,71)(H,62,67)(H,63,72)(H,64,77)(H,74,75)/t30-,31+,37+,39+,40-,41-,42+,43+,44-,53+/m0/s1
PubChem CID44368422
ChEMBLCHEMBL1161333
IUPHARN/A
BindingDBN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9215Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
9213Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
9216Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
9212Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
9214Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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