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Ligand

NameCHEMBL265236
Molecular formulaC48H71N11O5
IUPAC nameN-[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide
Molecular weight882.168
Hydrogen bond acceptor7
Hydrogen bond donor9
XlogP7.3
SynonymsBDBM50166126
Hexadecanoic acid [(S)-1-((R)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethylcarbamoyl)-2-(3H-imidazol-4-yl)-ethyl]-amide
Inchi KeyFTHMBGYIBAGPMD-GFUJKPJOSA-N
Inchi IDInChI=1S/C48H71N11O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-26-43(60)56-42(30-36-32-52-33-55-36)47(64)59-41(28-34-21-15-14-16-22-34)46(63)57-39(25-20-27-53-48(50)51)45(62)58-40(44(49)61)29-35-31-54-38-24-19-18-23-37(35)38/h14-16,18-19,21-24,31-33,39-42,54H,2-13,17,20,25-30H2,1H3,(H2,49,61)(H,52,55)(H,56,60)(H,57,63)(H,58,62)(H,59,64)(H4,50,51,53)/t39-,40-,41+,42-/m0/s1
PubChem CID11423083
ChEMBLCHEMBL265236
IUPHARN/A
BindingDB50166126
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
86753Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
86754Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
86755Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
86756Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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