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Ligand

NameCHEMBL3350904
Molecular formulaC55H68N12O12S2
IUPAC name(4R,7S,10S,13S,16S,19S,22S,25R)-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
SynonymsN/A
Inchi KeyAIPNJSQOAXBDQI-DRIVTIDUSA-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 CID11159133
ChEMBLCHEMBL3350904
IUPHARN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
441934Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
441932Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
441935Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
441931Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
441933Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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