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Ligand

NameCHEMBL436962
Molecular formulaC61H78N12O14S2
IUPAC name(4R,7S,10R,13S,16R,19S,22S,25S,28R,31S)-31-amino-19-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(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 weight1267.48
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP0.1
SynonymsBDBM50159458
D0J5OY
Des-AA1,2,4,5-[D-Trp8]SRIF
Inchi KeyCGHVCXMPDMMIFL-JFJBRMBESA-N
Inchi IDInChI=1S/C61H78N12O14S2/c1-34(75)50-59(84)69-46(28-38-20-10-5-11-21-38)57(82)73-51(35(2)76)60(85)70-48(31-74)58(83)71-49(61(86)87)33-89-88-32-41(63)52(77)66-44(26-36-16-6-3-7-17-36)54(79)67-45(27-37-18-8-4-9-19-37)55(80)68-47(29-39-30-64-42-23-13-12-22-40(39)42)56(81)65-43(53(78)72-50)24-14-15-25-62/h3-13,16-23,30,34-35,41,43-51,64,74-76H,14-15,24-29,31-33,62-63H2,1-2H3,(H,65,81)(H,66,77)(H,67,79)(H,68,80)(H,69,84)(H,70,85)(H,71,83)(H,72,78)(H,73,82)(H,86,87)/t34-,35-,41-,43+,44-,45+,46+,47+,48+,49+,50-,51-/m1/s1
PubChem CID44388022
ChEMBLCHEMBL436962
IUPHARN/A
BindingDB50159458
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
41332Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
41331Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
41329Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
41330Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
41328Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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