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Ligand

NameOctreotide
Molecular formulaC49H66N10O10S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-16-benzyl-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1019.25
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.0
SynonymsLongastatin
Sandostatine
Octreotide Acetate Salt
Sandoz 201-995
DRG-0115
[ Show all ]
Inchi KeyDEQANNDTNATYII-UHFFFAOYSA-N
Inchi IDInChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)
PubChem CID383414
ChEMBLN/A
IUPHAR2055
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58048Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
58039Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
58041Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
553528Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
553532Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
58043Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
553529Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
553530Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
58038Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
58037Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
553527Somatostatin receptor type 5O08858Sstr5Mus musculus (Mouse)362
553531Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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