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Ligand

NameCHEMBL413535
Molecular formulaC44H56N8O7
IUPAC name(3R,6S,9R,12R,15R,18R)-9-(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
SynonymsBDBM50063819
cyclo[NMeDAla-Tyr-DTrp-Lys-Val-Phe]
BIM 23050
Inchi KeyNPJIOCBFOAHEDO-SFGLISMLSA-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)/t27-,34-,35-,36-,37-,38+/m1/s1
PubChem CID44270290
ChEMBLN/A
IUPHARN/A
BindingDB50063819
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
228995Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
229000Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556374Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
228994Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
228996Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
228997Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
228999Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
228998Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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