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Ligand

NameCHEMBL2011463
Molecular formulaC45H58N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,4,18-trimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight823.008
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP4.1
SynonymsBDBM50379000
Inchi KeyJOCSFFZMFPMZFX-GERVPSNRSA-N
Inchi IDInChI=1S/C45H58N8O7/c1-27(2)39-45(60)53(5)38(24-29-13-7-6-8-14-29)44(59)52(4)28(3)40(55)49-36(23-30-18-20-32(54)21-19-30)42(57)50-37(25-31-26-47-34-16-10-9-15-33(31)34)43(58)48-35(41(56)51-39)17-11-12-22-46/h6-10,13-16,18-21,26-28,35-39,47,54H,11-12,17,22-25,46H2,1-5H3,(H,48,58)(H,49,55)(H,50,57)(H,51,56)/t28-,35-,36-,37+,38-,39-/m0/s1
PubChem CID70689414
ChEMBLCHEMBL2011463
IUPHARN/A
BindingDB50379000
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
155754Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
155755Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
155758Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
155757Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
155759Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
155756Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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