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Ligand

NameBDBM84623
Molecular formulaC55H64N10O9S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-7-(hydroxymethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-N-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1073.3
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP3.8
SynonymsNC4-28B
Inchi KeyGWJANPFAIFAIBQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C55H64N10O9S2/c56-24-9-8-19-43-51(70)63-46(30-66)54(73)65-47(50(69)59-28-36-15-10-14-35-13-4-5-16-39(35)36)31-75-76-32-48(64-49(68)41(57)25-33-11-2-1-3-12-33)55(74)61-44(26-34-20-22-38(67)23-21-34)52(71)62-45(53(72)60-43)27-37-29-58-42-18-7-6-17-40(37)42/h1-7,10-18,20-23,29,41,43-48,58,66-67H,8-9,19,24-28,30-32,56-57H2,(H,59,69)(H,60,72)(H,61,74)(H,62,71)(H,63,70)(H,64,68)(H,65,73)
PubChem CID57339788
ChEMBLN/A
IUPHARN/A
BindingDB84623
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
106956Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555884Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
555885Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
106954Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
106957Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
106953Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
106955Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
106952Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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