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Ligand

NameBDBM84621
Molecular formulaC61H69N11O9S2
IUPAC name(6S,9S,12R,15S)-9-(4-aminobutyl)-N-(1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl)-18-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-6-propan-2-yl-1,2-dithia-4,7,10,13,16-pentazacyclooctadecane-3-carboxamide
Molecular weight1164.41
Hydrogen bond acceptor13
Hydrogen bond donor12
XlogP6.1
SynonymsN/A
Inchi KeyVQIMHAVNZCCZNX-RYZOTEISSA-N
Inchi IDInChI=1S/C61H69N11O9S2/c1-34(2)51-57(79)72-61(58(80)67-48(52(64)74)31-37-19-23-39-12-4-6-14-41(39)28-37)83-82-60(71-53(75)45(63)29-36-18-22-38-11-3-5-13-40(38)27-36)59(81)69-49(30-35-20-24-43(73)25-21-35)55(77)68-50(32-42-33-65-46-16-8-7-15-44(42)46)56(78)66-47(54(76)70-51)17-9-10-26-62/h3-8,11-16,18-25,27-28,33-34,45,47-51,60-61,65,73H,9-10,17,26,29-32,62-63H2,1-2H3,(H2,64,74)(H,66,78)(H,67,80)(H,68,77)(H,69,81)(H,70,76)(H,71,75)(H,72,79)/t45?,47-,48?,49-,50+,51-,60?,61?/m0/s1
PubChem CID57339787
ChEMBLN/A
IUPHARN/A
BindingDB84621
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
361646Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
556980Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
556981Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
361647Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
361648Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
361649Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
361645Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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