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Ligand

NameCHEMBL568836
Molecular formulaC31H38FN9O5
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight635.701
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-0.1
Synonyms(S)-2-((R)-2-((S)-2-(4-(4-fluorophenyl)-4-oxobutanamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide
BDBM50301150
Inchi KeyGCGOAZRZURMILC-SDHSZQHLSA-N
Inchi IDInChI=1S/C31H38FN9O5/c32-21-10-8-20(9-11-21)26(42)12-13-27(43)39-25(16-22-17-36-18-38-22)30(46)41-24(15-19-5-2-1-3-6-19)29(45)40-23(28(33)44)7-4-14-37-31(34)35/h1-3,5-6,8-11,17-18,23-25H,4,7,12-16H2,(H2,33,44)(H,36,38)(H,39,43)(H,40,45)(H,41,46)(H4,34,35,37)/t23-,24-,25+/m1/s1
PubChem CID45487296
ChEMBLCHEMBL568836
IUPHARN/A
BindingDB50301150
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
92926Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
92925Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
92927Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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