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Ligand

NameCHEMBL1793861
Molecular formulaC56H68ClN13O9S2
IUPAC name(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-7-[(1S)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-11-methyl-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1166.81
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP2.6
SynonymsBDBM50370053
Inchi KeyBOHSAABACOZNKD-KSDCUIEQSA-N
Inchi IDInChI=1S/C56H68ClN13O9S2/c1-31(71)48-55(78)68-46(52(75)64-42(49(60)72)24-34-27-62-40-13-5-3-11-37(34)40)30-81-80-29-45(67-50(73)39(59)22-32-16-18-36(57)19-17-32)53(76)65-43(23-33-10-9-21-61-26-33)51(74)66-44(25-35-28-63-41-14-6-4-12-38(35)41)56(79)70(2)47(54(77)69-48)15-7-8-20-58/h3-6,9-14,16-19,21,26-28,31,39,42-48,62-63,71H,7-8,15,20,22-25,29-30,58-59H2,1-2H3,(H2,60,72)(H,64,75)(H,65,76)(H,66,74)(H,67,73)(H,68,78)(H,69,77)/t31-,39?,42?,43-,44+,45-,46+,47-,48+/m0/s1
PubChem CID56661365
ChEMBLN/A
IUPHARN/A
BindingDB50370053
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
28808Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
28809Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
28807Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
28810Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
28811Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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