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Ligand

NameCHEMBL267054
Molecular formulaC51H70N10O10
IUPAC name(2S,5R,8S,11S,14S,19S)-8-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-2-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-11-[(1R)-1-hydroxyethyl]-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicosane-14-carboxamide
Molecular weight983.181
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP1.7
Synonyms(1S,6S,9S,12R,15S,18S)-1-[[(1R,2R)-1-(Hydroxymethyl)-2-hydroxypropyl]carbamoyl]-6-[[(2R)-2-amino-3-phenylpropionyl]amino]-9-benzyl-12-[(1H-indole-3-yl)methyl]-15-(4-aminobutyl)-18-[(1R)-1-hydroxyethyl]-8,11,14,17,20-pentaazacycloicosane-7,10,13,16,19-pent
BDBM50232818
(2S,5R,8S,11S,14S,19S)-19-[(2R)-2-amino-3-phenylpropanamido]-8-(4-aminobutyl)-2-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-11-[(1R)-1-hydroxyethyl]-5-(1H-indol-3-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicosane-14-carboxamide
Inchi KeyCEZMHJBDTNBHJJ-BFEZXMBISA-N
Inchi IDInChI=1S/C51H70N10O10/c1-30(63)43(29-62)60-47(67)39-22-12-11-21-38(55-45(65)36(53)25-32-15-5-3-6-16-32)46(66)58-41(26-33-17-7-4-8-18-33)49(69)59-42(27-34-28-54-37-20-10-9-19-35(34)37)50(70)56-40(23-13-14-24-52)48(68)61-44(31(2)64)51(71)57-39/h3-10,15-20,28,30-31,36,38-44,54,62-64H,11-14,21-27,29,52-53H2,1-2H3,(H,55,65)(H,56,70)(H,57,71)(H,58,66)(H,59,69)(H,60,67)(H,61,68)/t30-,31-,36-,38+,39+,40+,41+,42-,43-,44+/m1/s1
PubChem CID11535351
ChEMBLCHEMBL267054
IUPHARN/A
BindingDB50232818
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
40444Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
40442Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
40445Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
40443Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
40446Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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