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Ligand

NameCHEMBL3350037
Molecular formulaC49H66N10O10S2
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2S,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1019.25
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP1.0
SynonymsBDBM50192018
Inchi KeyDEQANNDTNATYII-JDBXKHNRSA-N
Inchi IDInChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
PubChem CID13690207
ChEMBLCHEMBL3350037
IUPHARN/A
BindingDB50192018
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
443971Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
443974Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
443978Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
443973Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
443976Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
443975Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
443972Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
443977Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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