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Ligand

NameBDBM82456
Molecular formulaC45H57N9O8S2
IUPAC name(6S,9S,12R,15S)-9-(4-aminobutyl)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1,2-dithia-4,7,10,13,16-pentazacyclononadecane-3-carboxamide
Molecular weight916.126
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP3.0
SynonymsBIM 23030
CAS_117580-24-2
Inchi KeyXFRLQUSWDUGLDK-DJWPHTHZSA-N
Inchi IDInChI=1S/C45H57N9O8S2/c1-26(2)38-43(61)54-45(44(62)51-34(39(47)57)22-27-10-4-3-5-11-27)64-63-21-19-37(56)49-35(23-28-15-17-30(55)18-16-28)41(59)52-36(24-29-25-48-32-13-7-6-12-31(29)32)42(60)50-33(40(58)53-38)14-8-9-20-46/h3-7,10-13,15-18,25-26,33-36,38,45,48,55H,8-9,14,19-24,46H2,1-2H3,(H2,47,57)(H,49,56)(H,50,60)(H,51,62)(H,52,59)(H,53,58)(H,54,61)/t33-,34-,35-,36+,38-,45?/m0/s1
PubChem CID57339667
ChEMBLN/A
IUPHARN/A
BindingDB82456
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: 10
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
390654Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557117Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
557118Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
390655Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
390656Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
390652Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
390653Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
462563Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
390651Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364
390657Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363

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