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Ligand

NameCHEMBL567039
Molecular formulaC30H39N9O5
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[3-(4-hydroxyphenyl)propanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight605.7
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.1
Synonyms(S)-5-guanidino-2-((R)-2-((S)-2-(3-(4-hydroxyphenyl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)pentanamide
BDBM50301136
Inchi KeyFYUIPKSDJUFFLG-SDHSZQHLSA-N
Inchi IDInChI=1S/C30H39N9O5/c31-27(42)23(7-4-14-35-30(32)33)38-28(43)24(15-20-5-2-1-3-6-20)39-29(44)25(16-21-17-34-18-36-21)37-26(41)13-10-19-8-11-22(40)12-9-19/h1-3,5-6,8-9,11-12,17-18,23-25,40H,4,7,10,13-16H2,(H2,31,42)(H,34,36)(H,37,41)(H,38,43)(H,39,44)(H4,32,33,35)/t23-,24-,25+/m1/s1
PubChem CID45487416
ChEMBLCHEMBL567039
IUPHARN/A
BindingDB50301136
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
90566Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
90567Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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