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Ligand

NameCHEMBL448536
Molecular formulaC35H42N12O5
IUPAC name(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-cyanophenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Molecular weight710.8
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP-0.3
SynonymsAc-His-DPhe(pCN)-Arg-Trp-NH2
BDBM50252896
Inchi KeyDBWQPEKZJYCIEE-ZXYZSCNASA-N
Inchi IDInChI=1S/C35H42N12O5/c1-20(48)44-30(15-24-18-40-19-43-24)34(52)47-29(13-21-8-10-22(16-36)11-9-21)33(51)45-27(7-4-12-41-35(38)39)32(50)46-28(31(37)49)14-23-17-42-26-6-3-2-5-25(23)26/h2-3,5-6,8-11,17-19,27-30,42H,4,7,12-15H2,1H3,(H2,37,49)(H,40,43)(H,44,48)(H,45,51)(H,46,50)(H,47,52)(H4,38,39,41)/t27-,28-,29+,30-/m0/s1
PubChem CID25108141
ChEMBLCHEMBL448536
IUPHARN/A
BindingDB50252896
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
56082Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
56084Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
56081Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
56083Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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