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Ligand

NameCHEMBL566760
Molecular formulaC32H37N9O5
IUPAC nameN-[(2S)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-hydroxynaphthalene-2-carboxamide
Molecular weight627.706
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP1.1
SynonymsBDBM50301139
N-((S)-1-((R)-1-((S)-1-amino-5-guanidino-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl)-6-hydroxy-2-naphthamide
Inchi KeyDLOCVLGKPMETOO-PFBJBMPXSA-N
Inchi IDInChI=1S/C32H37N9O5/c33-28(43)25(7-4-12-37-32(34)35)39-30(45)26(13-19-5-2-1-3-6-19)41-31(46)27(16-23-17-36-18-38-23)40-29(44)22-9-8-21-15-24(42)11-10-20(21)14-22/h1-3,5-6,8-11,14-15,17-18,25-27,42H,4,7,12-13,16H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/t25-,26-,27+/m1/s1
PubChem CID45487285
ChEMBLCHEMBL566760
IUPHARN/A
BindingDB50301139
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
63206Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
63207Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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