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Ligand

NameBDBM82467
Molecular formulaC73H99N15O18
IUPAC name(14R,20S,23R,26R,29R,32R)-2,17-bis(4-aminobutyl)-5-(2-amino-2-oxoethyl)-8,11-dibenzyl-20,26-bis[(1S)-1-hydroxyethyl]-29-(hydroxymethyl)-23-[(4-hydroxyphenyl)methyl]-14-(1H-indol-3-ylmethyl)-3,6,9,12,15,18,21,24,27,30,38-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclooctatriacontane-32-carboxylic acid
Molecular weight1474.68
Hydrogen bond acceptor20
Hydrogen bond donor20
XlogP-0.8
Synonyms2-Deamino-L-Abu(1)-L-Lys-L-Asp(NH2)-L-Phe-L-Phe-L-Trp-L-Lys-L-Thr-L-Tyr-L-Thr-L-Ser-L-Abu(1)-OH
Inchi KeyHTEPNQQGQXAYEW-RDULDWFGSA-N
Inchi IDInChI=1S/C73H99N15O18/c1-41(90)61-71(103)85-55(36-45-28-30-47(92)31-29-45)69(101)88-62(42(2)91)72(104)86-58(40-89)70(102)80-52(73(105)106)26-10-5-11-27-60(94)78-50(24-14-16-32-74)63(95)84-57(38-59(76)93)68(100)82-53(34-43-18-6-3-7-19-43)65(97)81-54(35-44-20-8-4-9-21-44)66(98)83-56(37-46-39-77-49-23-13-12-22-48(46)49)67(99)79-51(64(96)87-61)25-15-17-33-75/h3-4,6-9,12-13,18-23,28-31,39,41-42,50-58,61-62,77,89-92H,5,10-11,14-17,24-27,32-38,40,74-75H2,1-2H3,(H2,76,93)(H,78,94)(H,79,99)(H,80,102)(H,81,97)(H,82,100)(H,83,98)(H,84,95)(H,85,103)(H,86,104)(H,87,96)(H,88,101)(H,105,106)/t41-,42-,50?,51?,52+,53?,54?,55+,56+,57?,58+,61-,62+/m0/s1
PubChem CID91898461
ChEMBLN/A
IUPHARN/A
BindingDB82467
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
123392Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555964Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555965Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
123393Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
123394Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
123390Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
460339Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
123391Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
123395Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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