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Ligand

NameBIM-23027
Molecular formulaC43H54N8O7
IUPAC name(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-ethyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight794.954
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.5
SynonymsBDBM82455
BIM 23027
cyclo(N-Me-Ala-Tyr-d-Trp-Lys-Abu-Phe)
N-Methylcyclo[L-Ala-L-Tyr-D-Trp-L-Lys-L-Abu-L-Phe-]
Inchi KeySKOFEUKLEYXDDV-GXTZDVISSA-N
Inchi IDInChI=1S/C43H54N8O7/c1-4-32-39(54)50-37(23-27-12-6-5-7-13-27)43(58)51(3)26(2)38(53)48-35(22-28-17-19-30(52)20-18-28)41(56)49-36(24-29-25-45-33-15-9-8-14-31(29)33)42(57)47-34(40(55)46-32)16-10-11-21-44/h5-9,12-15,17-20,25-26,32,34-37,45,52H,4,10-11,16,21-24,44H2,1-3H3,(H,46,55)(H,47,57)(H,48,53)(H,49,56)(H,50,54)/t26-,32-,34-,35-,36+,37-/m0/s1
PubChem CID9940596
ChEMBLN/A
IUPHARN/A
BindingDB82455
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
316657Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556742Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
316659Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
316656Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
461946Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
316658Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
316660Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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