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Ligand

NameCHEMBL2011465
Molecular formulaC46H60N8O7
IUPAC name(3R,6S,9S,12S,15S,18S)-18-(4-aminobutyl)-12-benzyl-6-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,4,9,10-tetramethyl-15-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
SynonymsBDBM50378998
Inchi KeyHIPRHTXZCPIYPG-UNNGUJMWSA-N
Inchi IDInChI=1S/C46H60N8O7/c1-28(2)40-43(58)50-36(24-30-14-8-7-9-15-30)44(59)52(4)29(3)41(56)49-37(25-31-19-21-33(55)22-20-31)45(60)54(6)39(26-32-27-48-35-17-11-10-16-34(32)35)46(61)53(5)38(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,49,56)(H,50,58)(H,51,57)/t29-,36-,37-,38-,39+,40-/m0/s1
PubChem CID70689415
ChEMBLCHEMBL2011465
IUPHARN/A
BindingDB50378998
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
115940Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
115942Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
115943Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
115941Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
115945Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
115944Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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