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Ligand

NameBDBM84625
Molecular formulaC49H67N11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight970.142
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-0.5
SynonymsBIM 23051
Inchi KeyGVSJBZZGXKEBGH-KFMCEEOESA-N
Inchi IDInChI=1S/C49H67N11O10/c1-27(54-45(66)35(51)23-31-15-7-5-8-16-31)43(64)57-38(24-32-17-9-6-10-18-32)47(68)58-39(25-33-26-53-36-20-12-11-19-34(33)36)48(69)56-37(21-13-14-22-50)46(67)60-41(30(4)62)49(70)55-28(2)44(65)59-40(29(3)61)42(52)63/h5-12,15-20,26-30,35,37-41,53,61-62H,13-14,21-25,50-51H2,1-4H3,(H2,52,63)(H,54,66)(H,55,70)(H,56,69)(H,57,64)(H,58,68)(H,59,65)(H,60,67)/t27-,28-,29+,30?,35+,37-,38-,39+,40-,41-/m0/s1
PubChem CID57339790
ChEMBLN/A
IUPHARN/A
BindingDB84625
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: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
106547Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555881Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
555882Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
106549Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
106546Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
106548Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
106545Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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