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Ligand

NameCHEMBL3422432
Molecular formulaC41H46IN9O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight871.781
Hydrogen bond acceptor6
Hydrogen bond donor8
XlogP3.7
SynonymsBDBM50080578
Inchi KeyCFEVUEANPOINQN-KFIZHRIMSA-N
Inchi IDInChI=1S/C41H46IN9O5/c1-24(52)48-36(22-29-23-47-32-10-5-4-9-31(29)32)40(56)51-35(20-25-13-16-30(42)17-14-25)39(55)49-33(11-6-18-46-41(44)45)38(54)50-34(37(43)53)21-26-12-15-27-7-2-3-8-28(27)19-26/h2-5,7-10,12-17,19,23,33-36,47H,6,11,18,20-22H2,1H3,(H2,43,53)(H,48,52)(H,49,55)(H,50,54)(H,51,56)(H4,44,45,46)/t33-,34-,35+,36-/m0/s1
PubChem CID118735609
ChEMBLCHEMBL3422432
IUPHARN/A
BindingDB50080578
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
443292Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
443290Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
443291Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
443289Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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