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Ligand

NameBDBM84640
Molecular formulaC71H80ClN11O9
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1266.94
Hydrogen bond acceptor11
Hydrogen bond donor12
XlogP8.8
SynonymsBIM 23063
Inchi KeyDOZRZUSLIGCWGE-GPZIJSMRSA-N
Inchi IDInChI=1S/C71H80ClN11O9/c1-43(2)63(71(92)82-61(37-45-17-7-4-8-18-45)67(88)78-58(64(75)85)40-48-24-29-49-19-9-10-20-50(49)35-48)83-66(87)57(23-13-14-34-73)77-70(91)62(41-51-42-76-56-22-12-11-21-54(51)56)81-69(90)60(39-47-27-32-53(84)33-28-47)80-68(89)59(38-46-25-30-52(72)31-26-46)79-65(86)55(74)36-44-15-5-3-6-16-44/h3-12,15-22,24-33,35,42-43,55,57-63,76,84H,13-14,23,34,36-41,73-74H2,1-2H3,(H2,75,85)(H,77,91)(H,78,88)(H,79,86)(H,80,89)(H,81,90)(H,82,92)(H,83,87)/t55-,57+,58+,59+,60+,61+,62-,63+/m1/s1
PubChem CID91867459
ChEMBLN/A
IUPHARN/A
BindingDB84640
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65483Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
555728Somatostatin receptor type 2P30875Sstr2Mus musculus (Mouse)369
65482Somatostatin receptor type 3P30935Sstr3Mus musculus (Mouse)428
65484Somatostatin receptor type 4P30937Sstr4Rattus norvegicus (Rat)384
65481Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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