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Ligand

NameCHEMBL412183
Molecular formulaC55H68N12O12S2
IUPAC name(4R,7S,10R,13S,16R,19S,22R,25S)-13-(4-aminobutyl)-19-[(4-aminophenyl)methyl]-22-benzyl-25-(carbamoylamino)-10-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight1153.34
Hydrogen bond acceptor16
Hydrogen bond donor15
XlogP-0.2
SynonymsBDBM50136799
Inchi KeyAIPNJSQOAXBDQI-JVGQUYDLSA-N
Inchi IDInChI=1S/C55H68N12O12S2/c1-30(68)46-53(76)64-42(25-33-16-20-36(69)21-17-33)50(73)65-45(54(77)78)29-81-80-28-44(66-55(58)79)52(75)62-40(23-31-9-3-2-4-10-31)48(71)61-41(24-32-14-18-35(57)19-15-32)49(72)63-43(26-34-27-59-38-12-6-5-11-37(34)38)51(74)60-39(47(70)67-46)13-7-8-22-56/h2-6,9-12,14-21,27,30,39-46,59,68-69H,7-8,13,22-26,28-29,56-57H2,1H3,(H,60,74)(H,61,71)(H,62,75)(H,63,72)(H,64,76)(H,65,73)(H,67,70)(H,77,78)(H3,58,66,79)/t30-,39+,40-,41+,42+,43-,44-,45+,46-/m1/s1
PubChem CID44368355
ChEMBLN/A
IUPHARN/A
BindingDB50136799
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
6420Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
6423Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
6422Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
6421Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
6424Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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