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Ligand

NameBDBM50136762
Molecular formulaC55H67N12O11S2-
IUPAC name(7R,10S,13R,16S,19R,28R)-28-amino-13-(4-aminobutyl)-22-benzoyl-7,19-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-24-methyl-6,9,12,15,18,21,23,27-octaoxo-1,2-dithia-5,8,11,14,17,20,22,24,26-nonazacyclononacosan-25-olate
Molecular weight1136.33
Hydrogen bond acceptor15
Hydrogen bond donor11
XlogP3.7
Synonyms(7R,10S,13R,16S,19R,28R)-28-amino-13-(4-aminobutyl)-22-benzoyl-7,19-dibenzyl-10-[(1R)-1-hydroxyethyl]-16-(1H-indol-3-ylmethyl)-24-methyl-6,9,12,15,18,21,23,27-octaoxo-1,2-dithia-5,8,11,14,17,20,22,24,26-nonaazacyclononacosan-25-olate
Inchi KeyBOBPCRWLCOIPEO-LMLVUDSVSA-N
Inchi IDInChI=1S/C55H67N12O11S2/c1-33(68)45-51(74)62-42(28-34-16-6-3-7-17-34)47(70)58-26-27-79-80-32-39(57)46(69)65-53(76)66(2)55(78)67(52(75)36-20-10-5-11-21-36)54(77)63-43(29-35-18-8-4-9-19-35)49(72)61-44(30-37-31-59-40-23-13-12-22-38(37)40)50(73)60-41(48(71)64-45)24-14-15-25-56/h3-13,16-23,31,33,39,41-45,53,59,68H,14-15,24-30,32,56-57H2,1-2H3,(H,58,70)(H,60,73)(H,61,72)(H,62,74)(H,63,77)(H,64,71)(H,65,69)/q-1/t33-,39+,41-,42-,43-,44+,45+,53?/m1/s1
PubChem CID44368018
ChEMBLN/A
IUPHARN/A
BindingDB50136762
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
28628Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
28631Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
28629Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
28630Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
28632Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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