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Ligand

NameBDBM84627
Molecular formulaC56H72ClN11O9
IUPAC name(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-(4-chlorophenyl)propanoyl]amino]butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]hexanamide
Molecular weight1078.71
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP4.2
SynonymsBIM 23067
Inchi KeyXLLZAHLNQUVXQX-KVXBSRAJSA-N
Inchi IDInChI=1S/C56H72ClN11O9/c1-5-42(63-51(72)41(59)27-35-18-22-38(57)23-19-35)52(73)66-46(29-36-20-24-39(69)25-21-36)54(75)67-47(30-37-31-61-43-16-10-9-15-40(37)43)55(76)64-44(17-11-12-26-58)53(74)68-48(32(2)3)56(77)62-33(4)50(71)65-45(49(60)70)28-34-13-7-6-8-14-34/h6-10,13-16,18-25,31-33,41-42,44-48,61,69H,5,11-12,17,26-30,58-59H2,1-4H3,(H2,60,70)(H,62,77)(H,63,72)(H,64,76)(H,65,71)(H,66,73)(H,67,75)(H,68,74)/t33-,41+,42-,44-,45+,46-,47+,48-/m0/s1
PubChem CID57339792
ChEMBLN/A
IUPHARN/A
BindingDB84627
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
394984Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
557136Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
557137Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
394982Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
394985Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
394983Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
394986Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
394987Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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