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Ligand

NameCHEMBL69379
Molecular formulaC45H57N9O9S
IUPAC name(3R,6S,9R,12S,15R,18S)-9-(4-aminobutyl)-18-[[(2R)-2-amino-3-phenylpropanoyl]amino]-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carboxylic acid
Molecular weight900.065
Hydrogen bond acceptor12
Hydrogen bond donor11
XlogP-0.2
SynonymsBDBM50059087
(3R,6S,9R,12S,15R,18S)-9-(4-Amino-butyl)-18-((R)-2-amino-3-phenyl-propionylamino)-15-benzyl-6-((R)-1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid
Inchi KeyGCLWZDVCIUHXSH-JOXPAQKRSA-N
Inchi IDInChI=1S/C45H57N9O9S/c1-26(55)38-44(61)53-37(45(62)63)25-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31-,33-,34-,35+,36-,37+,38+/m1/s1
PubChem CID44311936
ChEMBLCHEMBL69379
IUPHARN/A
BindingDB50059087
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
93067Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
93068Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
93066Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
93065Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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