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Ligand

NameCHEMBL414544
Molecular formulaC57H69N9O11S2
IUPAC name(4R,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-19-[(4-hydroxyphenyl)methyl]-16-[(1S)-1-naphthalen-2-ylethyl]-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1120.35
Hydrogen bond acceptor15
Hydrogen bond donor12
XlogP2.2
Synonyms6-amino-18-(4-aminobutyl)-9,24-dibenzyl-12-(4-hydroxybenzyl)-21-(1-hydroxyethyl)-15-[1-(2-naphthyl)ethyl]-7,10,13,16,19,22,25-heptaoxo-3,4-dithia-8,11,14,17,20,23,26-heptaazacyclohexacosane-1-carboxylic acid
BDBM50136770
Inchi KeyBCXQZFAVVLDMBN-FPTVWWPHSA-N
Inchi IDInChI=1S/C57H69N9O11S2/c1-33(39-23-22-38-17-9-10-18-40(38)30-39)48-55(74)60-43(19-11-12-26-58)51(70)66-49(34(2)67)56(75)63-45(28-36-15-7-4-8-16-36)53(72)64-47(57(76)77)32-79-78-31-42(59)50(69)61-44(27-35-13-5-3-6-14-35)52(71)62-46(54(73)65-48)29-37-20-24-41(68)25-21-37/h3-10,13-18,20-25,30,33-34,42-49,67-68H,11-12,19,26-29,31-32,58-59H2,1-2H3,(H,60,74)(H,61,69)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H,66,70)(H,76,77)/t33-,34+,42+,43-,44+,45-,46-,47-,48-,49+/m0/s1
PubChem CID44368144
ChEMBLCHEMBL414544
IUPHARN/A
BindingDB50136770
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
20636Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
20637Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
20633Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
20635Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
20634Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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