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Ligand

NameBIM 23268
Molecular formulaC54H67N11O9S2
IUPAC name(4S,7S,10R,13S,16S,19S,22R,25S)-25-amino-13-(4-aminobutyl)-7,19,22-tribenzyl-10-(1-hydroxyethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxamide
Molecular weight1078.32
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP2.8
SynonymsCHEMBL263606
BDBM50063839
H-cyclo[DCys-Phe-Phe-DTrp-Lys-Thr-Phe-DCys]-NH2
Inchi KeyJNMPZUZCPFIJGJ-MRZQVYDSSA-N
Inchi IDInChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
PubChem CID44270284
ChEMBLN/A
IUPHARN/A
BindingDB50063839
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
155254Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556061Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556062Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
556063Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
155253Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
155255Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
155251Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
155250Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
155252Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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