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Ligand

NameCHEMBL1793960
Molecular formulaC66H78ClN11O10
IUPAC name(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide
Molecular weight1220.87
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP6.6
SynonymsBDBM50369420
Inchi KeyBQQAFUIHJKWSBW-OJEZPLDQSA-N
Inchi IDInChI=1S/C66H78ClN11O10/c1-38(2)57(66(88)76-55(33-40-13-5-4-6-14-40)65(87)78-58(39(3)79)59(70)81)77-61(83)52(19-11-12-30-68)72-64(86)56(36-46-37-71-51-18-10-9-17-49(46)51)75-63(85)54(35-42-23-28-48(80)29-24-42)74-62(84)53(34-41-21-26-47(67)27-22-41)73-60(82)50(69)32-43-20-25-44-15-7-8-16-45(44)31-43/h4-10,13-18,20-29,31,37-39,50,52-58,71,79-80H,11-12,19,30,32-36,68-69H2,1-3H3,(H2,70,81)(H,72,86)(H,73,82)(H,74,84)(H,75,85)(H,76,88)(H,77,83)(H,78,87)/t39-,50+,52+,53+,54+,55+,56+,57+,58+/m1/s1
PubChem CID56664791
ChEMBLN/A
IUPHARN/A
BindingDB50369420
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
30548Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
30545Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
30546Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
30547Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
30549Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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