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Ligand

NameCHEMBL410047
Molecular formulaC62H79N13O14S2
IUPAC name(4R,7R,10S,13R,16S,19S,22S,25R,28S,31S)-31-amino-16-(4-aminobutyl)-28-(2-amino-2-oxoethyl)-10,22,25-tribenzyl-7,13-bis[(1R)-1-hydroxyethyl]-19-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonazacyclodotriacontane-4-carboxylic acid
Molecular weight1294.51
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP-1.0
SynonymsBDBM50159444
D0C5RH
Des-AA1,2,4,13-[D-Trp8]SRIF
Inchi KeyAQDRYTXOCJPYQG-WJYXJFIFSA-N
Inchi IDInChI=1S/C62H79N13O14S2/c1-34(76)51-60(86)72-46(28-38-20-10-5-11-21-38)59(85)75-52(35(2)77)61(87)73-49(62(88)89)33-91-90-32-41(64)53(79)68-48(30-50(65)78)58(84)70-44(26-36-16-6-3-7-17-36)55(81)69-45(27-37-18-8-4-9-19-37)56(82)71-47(29-39-31-66-42-23-13-12-22-40(39)42)57(83)67-43(54(80)74-51)24-14-15-25-63/h3-13,16-23,31,34-35,41,43-49,51-52,66,76-77H,14-15,24-30,32-33,63-64H2,1-2H3,(H2,65,78)(H,67,83)(H,68,79)(H,69,81)(H,70,84)(H,71,82)(H,72,86)(H,73,87)(H,74,80)(H,75,85)(H,88,89)/t34-,35-,41-,43+,44-,45+,46+,47+,48+,49+,51-,52-/m1/s1
PubChem CID44388125
ChEMBLCHEMBL410047
IUPHARN/A
BindingDB50159444
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
11593Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
11592Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
11589Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
11590Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
11591Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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