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Ligand

NameCHEMBL104052
Molecular formulaC33H42N12O5
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight686.778
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP-1.1
SynonymsBDBM50115379
2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-pyridin-3-yl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
Inchi KeyAWPSZBFASWADLU-LJWNLINESA-N
Inchi IDInChI=1S/C33H42N12O5/c1-19(46)42-28(14-22-17-38-18-41-22)32(50)45-27(12-20-6-4-10-37-15-20)31(49)43-25(9-5-11-39-33(35)36)30(48)44-26(29(34)47)13-21-16-40-24-8-3-2-7-23(21)24/h2-4,6-8,10,15-18,25-28,40H,5,9,11-14H2,1H3,(H2,34,47)(H,38,41)(H,42,46)(H,43,49)(H,44,48)(H,45,50)(H4,35,36,39)/t25-,26-,27-,28-/m0/s1
PubChem CID11061440
ChEMBLCHEMBL104052
IUPHARN/A
BindingDB50115379
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
16257Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
16256Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
16259Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
16258Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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