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Ligand

NameOctreotide
Molecular formulaC49H66N10O10S2
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-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
SynonymsOctreotide acetate
Octreotidum
Octreotida
83150-76-9
Sandostatin
[ Show all ]
Inchi KeyDEQANNDTNATYII-OULOTJBUSA-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)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1
PubChem CID448601
ChEMBLN/A
IUPHARN/A
BindingDB50272772
DrugBankDB00104

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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
58029Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
58027Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
58033Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
58030Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
58032Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
58031Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
58026Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
58028Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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