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Ligand

NameBDBM84620
Molecular formulaC54H70N10O10S2
IUPAC name10-(4-aminobutyl)-19-[(2-amino-3-naphthalen-1-ylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1083.33
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP2.9
SynonymsDC23-60
Inchi KeyCWNNRQPIBSUEOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C54H70N10O10S2/c1-30(2)47-54(74)63-46(53(73)61-44(27-65)31(3)66)29-76-75-28-45(62-48(68)39(56)24-34-13-10-12-33-11-4-5-14-37(33)34)52(72)59-42(23-32-18-20-36(67)21-19-32)50(70)60-43(25-35-26-57-40-16-7-6-15-38(35)40)51(71)58-41(49(69)64-47)17-8-9-22-55/h4-7,10-16,18-21,26,30-31,39,41-47,57,65-67H,8-9,17,22-25,27-29,55-56H2,1-3H3,(H,58,71)(H,59,72)(H,60,70)(H,61,73)(H,62,68)(H,63,74)(H,64,69)
PubChem CID57339786
ChEMBLN/A
IUPHARN/A
BindingDB84620
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
52238Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555673Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555674Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
52236Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
52237Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
52239Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
52240Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
52241Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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