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Ligand

NameCHEMBL429164
Molecular formulaC84H111N17O18S2
IUPAC name(1R,4R,7R,10S,15R,18S,21R,24S,27R,30S,33S)-7-(4-aminobutyl)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4,24-dibenzyl-27-[(1R)-1-hydroxyethyl]-18-(hydroxymethyl)-33-(1H-indol-3-ylmethyl)-3,6,9,17,20,23,26,29,32,35,38,43-dodecaoxo-30-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-12,13-dithia-2,5,8,16,19,22,25,28,31,34,39,44-dodecazabicyclo[19.14.12]heptatetracontane-15-carboxylic acid
Molecular weight1711.03
Hydrogen bond acceptor23
Hydrogen bond donor21
XlogP0.0
SynonymsBDBM50159441
cyclo(7-12) Des-AA1,5-[Tyr2,Glu7,D-Trp8,IAmp9,Orn(Gaba)12]SRIF
Inchi KeyAVDUOJCECDGHAO-LMPAMSSKSA-N
Inchi IDInChI=1S/C84H111N17O18S2/c1-48(2)89-43-54-27-25-53(26-28-54)41-65-80(114)101-72(49(3)103)83(117)97-64(40-51-18-8-5-9-19-51)78(112)91-61-23-14-36-87-70(105)24-15-37-88-71(106)34-33-62(76(110)96-66(79(113)95-65)42-55-44-90-59-21-11-10-20-57(55)59)93-77(111)63(39-50-16-6-4-7-17-50)94-74(108)60(22-12-13-35-85)92-82(116)68(99-73(107)58(86)38-52-29-31-56(104)32-30-52)46-120-121-47-69(84(118)119)100-81(115)67(45-102)98-75(61)109/h4-11,16-21,25-32,44,48-49,58,60-69,72,89-90,102-104H,12-15,22-24,33-43,45-47,85-86H2,1-3H3,(H,87,105)(H,88,106)(H,91,112)(H,92,116)(H,93,111)(H,94,108)(H,95,113)(H,96,110)(H,97,117)(H,98,109)(H,99,107)(H,100,115)(H,101,114)(H,118,119)/t49-,58+,60-,61-,62-,63-,64+,65+,66+,67+,68-,69+,72-/m1/s1
PubChem CID44388133
ChEMBLCHEMBL429164
IUPHARN/A
BindingDB50159441
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
15210Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
15211Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
15213Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
15212Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
15209Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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