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Ligand

NameCHEMBL1223226
Molecular formulaC51H68N10O10
IUPAC name(2S,5R,8S,11S,14S,16Z,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-2-ylmethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentazacycloicos-16-ene-14-carboxamide
Molecular weight981.165
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP1.7
SynonymsBDBM50325033
(2S,5R,8S,11S,14S,19S,Z)-5-((1H-indol-2-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-8-(4-aminobutyl)-2-benzyl-N-((2R,3R)-1,3-dihydroxybutan-2-yl)-11-((R)-1-hydroxyethyl)-3,6,9,12,20-pentaoxo-1,4,7,10,13-pentaazacycloicos-16-ene-14-carboxamide
Inchi KeyBBXDZDQHRJCMJF-IOPUJYQWSA-N
Inchi IDInChI=1S/C51H68N10O10/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(28-35-27-34-19-9-10-20-37(34)54-35)50(70)56-40(23-13-14-24-52)48(68)61-44(31(2)64)51(71)57-39/h3-12,15-20,27,30-31,36,38-44,54,62-64H,13-14,21-26,28-29,52-53H2,1-2H3,(H,55,65)(H,56,70)(H,57,71)(H,58,66)(H,59,69)(H,60,67)(H,61,68)/b12-11-/t30-,31-,36-,38+,39+,40+,41+,42-,43-,44+/m1/s1
PubChem CID49865341
ChEMBLCHEMBL1223226
IUPHARN/A
BindingDB50325033
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
19917Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
19913Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
19916Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
19915Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
19914Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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