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Ligand

NameCHEMBL3577998
Molecular formulaC51H68N12O8
IUPAC name2-[3-[(3R,9S,12S,18S,21S,24S,27S)-15-(3-aminopropyl)-9,18,21-tribenzyl-12-methyl-2,8,11,14,17,20,23,26-octaoxo-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-24-yl]propyl]guanidine
Molecular weight977.181
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.6
SynonymsBDBM50089416
Inchi KeyDOFWVHHZMVXZDY-JMUIZCTFSA-N
Inchi IDInChI=1S/C51H68N12O8/c1-32-43(64)61-40(31-35-19-9-4-10-20-35)49(70)63-28-14-24-42(63)50(71)62-27-13-23-41(62)48(69)58-37(22-12-26-55-51(53)54)45(66)59-39(30-34-17-7-3-8-18-34)47(68)60-38(29-33-15-5-2-6-16-33)46(67)57-36(21-11-25-52)44(65)56-32/h2-10,15-20,32,36-42H,11-14,21-31,52H2,1H3,(H,56,65)(H,57,67)(H,58,69)(H,59,66)(H,60,68)(H,61,64)(H4,53,54,55)/t32-,36?,37-,38-,39-,40-,41-,42+/m0/s1
PubChem CID122178169
ChEMBLCHEMBL3577998
IUPHARN/A
BindingDB50089416
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
470929Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
470927Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
470928Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
470930Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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