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Ligand

NameCHEMBL384836
Molecular formulaC50H67N11O11S2
IUPAC name(4R,7S,10S,13S,16S,19S)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-5-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1062.27
Hydrogen bond acceptor15
Hydrogen bond donor13
XlogP0.4
SynonymsBDBM50098610
10-(4-Amino-butyl)-19-[2-amino-3-(4-hydroxy-phenyl)-propionylamino]-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-5-methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (1-carbamoyl-2-hydroxy-propyl)-amide
Inchi KeyBJGMUCNXLCWWGI-ARBHAYAYSA-N
Inchi IDInChI=1S/C50H67N11O11S2/c1-27(62)41(43(53)65)59-49(71)40-26-74-73-25-39(58-44(66)34(52)21-30-16-18-32(64)19-17-30)48(70)56-37(22-29-11-5-4-6-12-29)46(68)57-38(23-31-24-54-35-14-8-7-13-33(31)35)47(69)55-36(15-9-10-20-51)45(67)60-42(28(2)63)50(72)61(40)3/h4-8,11-14,16-19,24,27-28,34,36-42,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,71)(H,60,67)/t27-,28-,34-,36+,37+,38+,39-,40+,41+,42+/m1/s1
PubChem CID44280339
ChEMBLCHEMBL384836
IUPHARN/A
BindingDB50098610
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
25079Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
25077Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
25080Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
25078Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
25081Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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