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Ligand

NameBDBM82454
Molecular formulaC44H56N8O7
IUPAC name(3R,6R,9S,12R,15R,18R)-9-(4-aminobutyl)-3,15-dibenzyl-6-[(1S)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,18-trimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight808.981
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP3.4
SynonymsL-363,572
N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-D-Thr-N-methyl-D-Phe-)
Inchi KeyKOGIHOUQSBXWAB-JMZSSCIBSA-N
Inchi IDInChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
PubChem CID57339666
ChEMBLN/A
IUPHARN/A
BindingDB82454
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
174017Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556161Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
174018Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
174021Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
460772Somatostatin receptor type 4P49660Sstr4Mus musculus (Mouse)385
174019Somatostatin receptor type 5P30938Sstr5Rattus norvegicus (Rat)363
174020Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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