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Ligand

NameCHEMBL2369699
Molecular formulaC43H59N9O8S2
IUPAC name(1R,4S,7S,10R,13S,16R)-7-(4-aminobutyl)-13-benzyl-4-[(1R)-1-hydroxyethyl]-10-(1H-indol-3-ylmethyl)-28,29-dithia-2,5,8,11,14,17,25-heptazabicyclo[14.10.4]triacontane-3,6,9,12,15,18,26-heptone
Molecular weight894.12
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP2.1
Synonyms(1R,4S,7S,10R,13S,16R)-4-[(R)-1-Hydroxyethyl]-7-(4-aminobutyl)-10-(1H-indole-3-ylmethyl)-13-benzyl-28,29-dithia-2,5,8,11,14,17,25-heptaazabicyclo[14.10.4]triacontane-3,6,9,12,15,18,26-heptone
BDBM82457
L-362,823
L-362823
Inchi KeyDJBKQPWDFYQVPB-JHSSJSOJSA-N
Inchi IDInChI=1S/C43H59N9O8S2/c1-26(53)37-43(60)51-34-24-61-62-25-35(47-36(54)18-7-2-3-12-20-45-38(34)55)42(59)49-32(21-27-13-5-4-6-14-27)40(57)50-33(22-28-23-46-30-16-9-8-15-29(28)30)41(58)48-31(39(56)52-37)17-10-11-19-44/h4-6,8-9,13-16,23,26,31-35,37,46,53H,2-3,7,10-12,17-22,24-25,44H2,1H3,(H,45,55)(H,47,54)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,52,56)/t26-,31+,32+,33-,34+,35+,37+/m1/s1
PubChem CID9988277
ChEMBLN/A
IUPHARN/A
BindingDB82457
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
61294Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555710Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
61295Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
61297Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
459779Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
61296Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
61298Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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