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Ligand

Namesst4-selective analogue 17
Molecular formulaC53H62N11O12S2-
IUPAC name(4S,7S,10S,13S,17R,20R,23S,26R,29S)-29-amino-7,23,26-tribenzyl-4-carboxy-10-[(1R)-1-hydroxyethyl]-20-(1H-indol-3-ylmethyl)-13-methyl-6,9,12,15,19,22,25,28-octaoxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonazacyclotriacontan-17-olate
Molecular weight1109.26
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP1.2
SynonymsBDBM50136764
(11S,29S)-29-Amino-7-(S)-1-benzyl-23,26-dibenzyl-4-carboxy-10-((S)-1-hydroxy-ethyl)-20-(1H-indol-3-ylmethyl)-13-methyl-6,12,15,28-tetraoxo-9,19,25-tri(R)-oxo-22-(S)-oxo-1,2-dithia-5,8,11,14,16,18,21,24,27-nonaaza-cyclotriacontan-17-ol anion
CID44368108
Inchi KeyBNFXQXZSZFDCOU-SMWASMGWSA-N
Inchi IDInChI=1S/C53H62N11O12S2/c1-29-44(66)62-43(30(2)65)50(72)60-40(24-33-18-10-5-11-19-33)48(70)61-42(51(73)74)28-78-77-27-36(54)45(67)57-38(22-31-14-6-3-7-15-31)46(68)58-39(23-32-16-8-4-9-17-32)47(69)59-41(49(71)63-53(76)64-52(75)56-29)25-34-26-55-37-21-13-12-20-35(34)37/h3-21,26,29-30,36,38-43,53,55,65H,22-25,27-28,54H2,1-2H3,(H,57,67)(H,58,68)(H,59,69)(H,60,72)(H,61,70)(H,62,66)(H,63,71)(H,73,74)(H2,56,64,75)/q-1/t29-,30+,36+,38+,39-,40-,41+,42+,43-,53+/m0/s1
PubChem CID44368108
ChEMBLN/A
IUPHARN/A
BindingDB50136764
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
28080Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
28081Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
28079Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
28077Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
28078Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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