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Ligand

NameBDBM81766
Molecular formulaC44H56N8O7
IUPAC name9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight808.981
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.9
SynonymsCAS_3086456
NSC_3086456
L001102
Inchi KeyNPJIOCBFOAHEDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)
PubChem CID13105142
ChEMBLN/A
IUPHARN/A
BindingDB81766
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229009Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
229001Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556375Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
556376Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
229005Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
229006Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
229008Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
229002Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
229007Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461210Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
229003Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
229004Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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