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Ligand

NameCHEMBL3122128
Molecular formulaC81H111N17O23S2
IUPAC name(4R,7S,10S,13S,16S,19R,22S,25S,28R)-16-(4-aminobutyl)-10,22,25-tribenzyl-13-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27-octaoxo-28-[[2-[[2-[2-[2-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carboxylic acid
Molecular weight1754.99
Hydrogen bond acceptor30
Hydrogen bond donor19
XlogP-9.1
SynonymsN/A
Inchi KeyBAKKGNVIBVRHQE-UOAPYMMUSA-N
Inchi IDInChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1
PubChem CID76321778
ChEMBLCHEMBL3122128
IUPHARN/A
BindingDBN/A
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
18951Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
18953Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
18955Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
18952Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
18954Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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