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Ligand

NameCHEMBL429166
Molecular formulaC60H73ClN12O8S2
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-7-(2,2-dimethylpropyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1189.89
Hydrogen bond acceptor13
Hydrogen bond donor11
XlogP5.4
SynonymsBDBM50077276
H-Cpa-cyclo[DCys-Pal-DTrp-Lys-Tba-Cys]-Nal-NH2
Inchi KeyASEVWZTXHWQCAK-LIAWXVJMSA-N
Inchi IDInChI=1S/C60H73ClN12O8S2/c1-60(2,3)30-49-57(79)73-51(58(80)68-46(52(64)74)27-36-17-20-38-12-4-5-13-39(38)25-36)34-83-82-33-50(72-53(75)43(63)26-35-18-21-41(61)22-19-35)59(81)69-47(28-37-11-10-24-65-31-37)55(77)70-48(29-40-32-66-44-15-7-6-14-42(40)44)56(78)67-45(54(76)71-49)16-8-9-23-62/h4-7,10-15,17-22,24-25,31-32,43,45-51,66H,8-9,16,23,26-30,33-34,62-63H2,1-3H3,(H2,64,74)(H,67,78)(H,68,80)(H,69,81)(H,70,77)(H,71,76)(H,72,75)(H,73,79)/t43-,45-,46-,47-,48+,49-,50-,51-/m0/s1
PubChem CID44298378
ChEMBLCHEMBL429166
IUPHARN/A
BindingDB50077276
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13077Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
13079Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
13078Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
13080Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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