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Ligand

NameCHEMBL3349669
Molecular formulaC58H70N12O9S2
IUPAC name(4R,7S,10S,13R,16S,19S)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-19-[[(2S)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1143.39
Hydrogen bond acceptor14
Hydrogen bond donor12
XlogP3.6
SynonymsN/A
Inchi KeyBMLPGCYZXNMZMO-WUIGHQTRSA-N
Inchi IDInChI=1S/C58H70N12O9S2/c1-33(2)50-58(79)69-49(56(77)65-45(51(61)72)26-34-17-20-40(71)21-18-34)32-81-80-31-48(68-52(73)42(60)25-35-16-19-37-11-3-4-12-38(37)24-35)57(78)66-46(27-36-10-9-23-62-29-36)54(75)67-47(28-39-30-63-43-14-6-5-13-41(39)43)55(76)64-44(53(74)70-50)15-7-8-22-59/h3-6,9-14,16-21,23-24,29-30,33,42,44-50,63,71H,7-8,15,22,25-28,31-32,59-60H2,1-2H3,(H2,61,72)(H,64,76)(H,65,77)(H,66,78)(H,67,75)(H,68,73)(H,69,79)(H,70,74)/t42-,44-,45-,46-,47+,48+,49-,50-/m0/s1
PubChem CID118718506
ChEMBLCHEMBL3349669
IUPHARN/A
BindingDBN/A
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442739Somatostatin receptor type 1P30872SSTR1Homo sapiens (Human)391
442743Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
442742Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
442741Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
442740Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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