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Ligand

NameCHEMBL2011461
Molecular formulaC46H60N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,13,18-tetramethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight837.035
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP4.3
SynonymsBDBM50379003
Inchi KeyASOJAQMDOPVKDT-LVVOHLSDSA-N
Inchi IDInChI=1S/C46H60N8O7/c1-28(2)40-46(61)54(6)39(25-30-14-8-7-9-15-30)45(60)52(4)29(3)41(56)50-37(24-31-19-21-33(55)22-20-31)44(59)53(5)38(26-32-27-48-35-17-11-10-16-34(32)35)43(58)49-36(42(57)51-40)18-12-13-23-47/h7-11,14-17,19-22,27-29,36-40,48,55H,12-13,18,23-26,47H2,1-6H3,(H,49,58)(H,50,56)(H,51,57)/t29-,36-,37-,38+,39-,40-/m0/s1
PubChem CID70695722
ChEMBLCHEMBL2011461
IUPHARN/A
BindingDB50379003
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13365Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
13368Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
13369Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
13366Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
13370Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
13367Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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