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Ligand

NameBIM-23023
Molecular formulaC49H65N11O10S2
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-7-ethyl-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1032.25
Hydrogen bond acceptor14
Hydrogen bond donor13
XlogP0.8
SynonymsBIM 23023
BDBM82465
D-Phe-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-Abu-L-Cys(1)-L-Thr-NH2
Inchi KeyJEDSJNJJPRACAZ-NVVXHNQNSA-N
Inchi IDInChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27-,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1
PubChem CID14720895
ChEMBLN/A
IUPHARN/A
BindingDB82465
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: 12
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
148747Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556042Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556043Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
556044Somatostatin receptor type 2P30680Sstr2Rattus norvegicus (Rat)369
148745Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
148746Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
148748Somatostatin receptor type 3P30936Sstr3Rattus norvegicus (Rat)428
148742Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
148744Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
460575Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
148741Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
148743Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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