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Ligand

NameCHEMBL414446
Molecular formulaC57H68IN9O10S2
IUPAC name(4R,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-19-[(4-iodophenyl)methyl]-16-[(1R)-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
BDBM50136773
Inchi KeyCAZXDBJBVRZERN-SLMGJGRXSA-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-/m1/s1
PubChem CID44368117
ChEMBLCHEMBL414446
IUPHARN/A
BindingDB50136773
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
37654Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
37652Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
37655Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
37653Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
37656Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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