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Ligand

NameCHEMBL408471
Molecular formulaC56H67N11O9S2
IUPAC name2-[(7R,10S,13R,16R,19R,22S)-13-(4-aminobutyl)-7,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-16,19-bis(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclopentacos-5-yl]acetamide
Molecular weight1102.34
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP3.9
SynonymsBDBM50111537
2-[13-(4-Amino-butyl)-7,22-dibenzyl-10-(1-hydroxy-ethyl)-16,19-bis-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptaaza-cyclopentacos-5-yl]-acetamide
Inchi KeyCAVUPJAIIXVCRJ-HXWGMKPQSA-N
Inchi IDInChI=1S/C56H67N11O9S2/c1-34(68)50-55(75)65-47(27-36-16-6-3-7-17-36)56(76)67(32-48(58)69)24-25-77-78-33-49(70)61-44(26-35-14-4-2-5-15-35)52(72)63-46(29-38-31-60-42-21-11-9-19-40(38)42)54(74)64-45(28-37-30-59-41-20-10-8-18-39(37)41)53(73)62-43(51(71)66-50)22-12-13-23-57/h2-11,14-21,30-31,34,43-47,50,59-60,68H,12-13,22-29,32-33,57H2,1H3,(H2,58,69)(H,61,70)(H,62,73)(H,63,72)(H,64,74)(H,65,75)(H,66,71)/t34-,43-,44+,45-,46-,47-,50+/m1/s1
PubChem CID44290766
ChEMBLCHEMBL408471
IUPHARN/A
BindingDB50111537
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37570Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
37573Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
37571Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
37569Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
37572Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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