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Ligand

NameCHEMBL559022
Molecular formulaC74H96IN15O15S2
IUPAC name(4R,7S,10S,13S,16S,19S,22R,25S,28S,31S,34R)-34-amino-31-(4-aminobutyl)-25,28-dibenzyl-10,16-bis[(1R)-1-hydroxyethyl]-13-[(4-hydroxy-3-(125I)iodanylphenyl)methyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-19-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carboxamide
Molecular weight1624.7
Hydrogen bond acceptor20
Hydrogen bond donor19
XlogP3.5
SynonymsN/A
Inchi KeyCEYONBPFQCRTMH-KRTYEUFWSA-N
Inchi IDInChI=1S/C74H96IN15O15S2/c1-40(2)79-35-46-24-22-45(23-25-46)32-56-70(101)89-62(41(3)92)73(104)86-57(33-47-26-27-61(94)50(75)29-47)71(102)90-63(42(4)93)74(105)87-59(37-91)72(103)88-60(64(78)95)39-107-106-38-51(77)65(96)81-53(21-13-14-28-76)66(97)82-54(30-43-15-7-5-8-16-43)67(98)83-55(31-44-17-9-6-10-18-44)68(99)85-58(69(100)84-56)34-48-36-80-52-20-12-11-19-49(48)52/h5-12,15-20,22-27,29,36,40-42,51,53-60,62-63,79-80,91-94H,13-14,21,28,30-35,37-39,76-77H2,1-4H3,(H2,78,95)(H,81,96)(H,82,97)(H,83,98)(H,84,100)(H,85,99)(H,86,104)(H,87,105)(H,88,103)(H,89,101)(H,90,102)/t41-,42-,51+,53+,54+,55+,56+,57+,58-,59+,60+,62+,63+/m1/s1/i75-2
PubChem CID45270549
ChEMBLCHEMBL559022
IUPHARN/A
BindingDBN/A
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
40411Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
40409Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
40407Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
40410Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
40408Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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