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Ligand

NameCHEMBL428281
Molecular formulaC57H69N9O11S2
IUPAC name(4R,7S,10R,13S,19S,22R,25R)-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
SynonymsBDBM50136826
(14S,16R,25R)-25-Amino-13-(4-amino-butyl)-7,22-dibenzyl-19-(4-hydroxy-benzyl)-10-((R)-1-hydroxy-ethyl)-16-(1-naphthalen-2-yl-ethyl)-6,12,18-tri(S)-oxo-9,21-di(R)-oxo-15,24-dioxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclohexacosane-4-carboxylic acid
Inchi KeyBCXQZFAVVLDMBN-RRPPXVGESA-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 CID44368630
ChEMBLN/A
IUPHARN/A
BindingDB50136826
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
20655Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
20657Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
20654Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
20656Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
20653Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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