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Ligand

NameCHEMBL262551
Molecular formulaC83H111N15O16S2
IUPAC name(2S)-6-amino-2-[[(4R,7S,10R,13S,16R,19S,22S,25S,28R,31R,34S)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-5-methyl-22-(naphthalen-2-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]hexanoic acid
Molecular weight1639.01
Hydrogen bond acceptor22
Hydrogen bond donor18
XlogP2.4
SynonymsBDBM50159426
Des-AA1,2,5-[D-Nal8,IAmp9,(NalphaMe)Cys14]SRIF-Lys
Inchi KeyCJEKIPJGWKBLBA-VWIBYTEXSA-N
Inchi IDInChI=1S/C83H111N15O16S2/c1-49(2)87-45-56-33-31-55(32-34-56)43-65-77(107)96-70(50(3)100)80(110)94-66(42-54-25-13-8-14-26-54)78(108)97-71(51(4)101)81(111)95-68(46-99)82(112)98(5)69(79(109)89-62(83(113)114)30-18-20-38-85)48-116-115-47-60(86)72(102)88-61(29-17-19-37-84)73(103)90-63(40-52-21-9-6-10-22-52)74(104)91-64(41-53-23-11-7-12-24-53)75(105)93-67(76(106)92-65)44-57-35-36-58-27-15-16-28-59(58)39-57/h6-16,21-28,31-36,39,49-51,60-71,87,99-101H,17-20,29-30,37-38,40-48,84-86H2,1-5H3,(H,88,102)(H,89,109)(H,90,103)(H,91,104)(H,92,106)(H,93,105)(H,94,110)(H,95,111)(H,96,107)(H,97,108)(H,113,114)/t50-,51-,60-,61-,62+,63-,64+,65+,66+,67+,68+,69+,70-,71-/m1/s1
PubChem CID44388085
ChEMBLCHEMBL262551
IUPHARN/A
BindingDB50159426
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
43269Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
43270Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
43267Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
43268Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
43266Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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