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Ligand

NameCHEMBL2369735
Molecular formulaC56H68ClN13O9S2
IUPAC name(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-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
SynonymsN/A
Inchi KeyBOHSAABACOZNKD-HHBRSWSWSA-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 CID73350006
ChEMBLCHEMBL2369735
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
28804Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
28802Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
28805Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
28803Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
28806Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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