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Ligand

NameBDBM84630
Molecular formulaC56H66N10O9S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1087.32
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP4.2
SynonymsBIM 23060
Inchi KeyWVMBVVRMFHGKTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
PubChem CID57339795
ChEMBLN/A
IUPHARN/A
BindingDB84630
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
383354Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557084Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
557085Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
383355Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
383356Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
383351Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
383352Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
383353Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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