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Ligand

NameCHEMBL3577992
Molecular formulaC52H62N12O9
IUPAC name2-[(4S,7S,10S,16R,22S,25S,28S)-4,22-dibenzyl-7-[3-(diaminomethylideneamino)propyl]-25-methyl-3,6,9,15,21,24,27,30-octaoxo-2,5,8,14,20,23,26,29-octazapentacyclo[29.8.0.010,14.016,20.033,38]nonatriaconta-1(39),31,33,35,37-pentaen-28-yl]acetamide
Molecular weight999.143
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP1.4
SynonymsBDBM50089410
Inchi KeyFKJRMGOKQNEHRT-SOGBOZPASA-N
Inchi IDInChI=1S/C52H62N12O9/c1-30-44(66)62-40(26-32-15-6-3-7-16-32)50(72)64-24-12-21-42(64)51(73)63-23-11-20-41(63)49(71)58-36(19-10-22-56-52(54)55)46(68)61-38(25-31-13-4-2-5-14-31)48(70)59-37-28-34-18-9-8-17-33(34)27-35(37)45(67)60-39(29-43(53)65)47(69)57-30/h2-9,13-18,27-28,30,36,38-42H,10-12,19-26,29H2,1H3,(H2,53,65)(H,57,69)(H,58,71)(H,59,70)(H,60,67)(H,61,68)(H,62,66)(H4,54,55,56)/t30-,36-,38-,39-,40-,41-,42+/m0/s1
PubChem CID122178163
ChEMBLCHEMBL3577992
IUPHARN/A
BindingDB50089410
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
472832Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
472831Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
472833Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
472830Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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