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Ligand

NameSS14
Molecular formulaC63H88N16O16S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S,28R,31S)-13,28-bis(4-aminobutyl)-25-(2-amino-2-oxoethyl)-31-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-19,22-dibenzyl-10-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-16-(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 weight1389.61
Hydrogen bond acceptor21
Hydrogen bond donor19
XlogP-4.1
SynonymsD0R7OD
GTPL2019
SST-14
Inchi KeyVVEJUSYNERNRME-XGFVQVCISA-N
Inchi IDInChI=1S/C63H88N16O16S2/c1-34(66)53(84)69-30-51(83)70-48-32-96-97-33-49(63(94)95)78-60(91)47(31-80)77-62(93)52(35(2)81)79-55(86)42(22-12-14-24-65)71-58(89)45(27-38-29-68-40-20-10-9-19-39(38)40)75-57(88)44(26-37-17-7-4-8-18-37)73-56(87)43(25-36-15-5-3-6-16-36)74-59(90)46(28-50(67)82)76-54(85)41(72-61(48)92)21-11-13-23-64/h3-10,15-20,29,34-35,41-49,52,68,80-81H,11-14,21-28,30-33,64-66H2,1-2H3,(H2,67,82)(H,69,84)(H,70,83)(H,71,89)(H,72,92)(H,73,87)(H,74,90)(H,75,88)(H,76,85)(H,77,93)(H,78,91)(H,79,86)(H,94,95)/t34-,35+,41+,42-,43+,44-,45+,46-,47-,48+,49-,52+/m0/s1
PubChem CID44386062
ChEMBLN/A
IUPHAR2019
BindingDBN/A
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: 13
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
555098Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555106Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391
555100Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
555102Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
555108Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555097Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
555105Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
555107Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
555096Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
555101Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
555099Somatostatin receptor type 5O08858Sstr5Mus musculus (Mouse)362
555103Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
555104Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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