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Ligand

NameCHEMBL407649
Molecular formulaC57H68IN9O10S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S)-25-amino-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-19-[(4-iodophenyl)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 weight1230.25
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP3.2
Synonyms6-amino-18-(4-aminobutyl)-9,24-dibenzyl-21-(1-hydroxyethyl)-12-(4-iodobenzyl)-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
BDBM50136780
Inchi KeyCAZXDBJBVRZERN-ZLOGYFEASA-N
Inchi IDInChI=1S/C57H68IN9O10S2/c1-33(39-23-22-38-17-9-10-18-40(38)30-39)48-55(74)61-43(19-11-12-26-59)51(70)67-49(34(2)68)56(75)64-45(28-36-15-7-4-8-16-36)53(72)65-47(57(76)77)32-79-78-31-42(60)50(69)62-44(27-35-13-5-3-6-14-35)52(71)63-46(54(73)66-48)29-37-20-24-41(58)25-21-37/h3-10,13-18,20-25,30,33-34,42-49,68H,11-12,19,26-29,31-32,59-60H2,1-2H3,(H,61,74)(H,62,69)(H,63,71)(H,64,75)(H,65,72)(H,66,73)(H,67,70)(H,76,77)/t33-,34+,42+,43-,44+,45-,46-,47-,48+,49+/m0/s1
PubChem CID44368044
ChEMBLCHEMBL407649
IUPHARN/A
BindingDB50136780
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
37660Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
37657Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
37658Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
37661Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
37659Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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