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Ligand

NameCHEMBL565900
Molecular formulaC31H36N10O5
IUPAC name(2R)-2-[[(2R)-2-[[(2S)-2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
Molecular weight628.694
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP0.2
Synonyms(S)-2-((R)-2-((S)-2-(2-cyano-3-(4-hydroxyphenyl)acrylamido)-3-(1H-imidazol-5-yl)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide
BDBM50301146
Inchi KeyDNRIVOCYBHKOPB-DWBRCIAUSA-N
Inchi IDInChI=1S/C31H36N10O5/c32-16-21(13-20-8-10-23(42)11-9-20)28(44)40-26(15-22-17-36-18-38-22)30(46)41-25(14-19-5-2-1-3-6-19)29(45)39-24(27(33)43)7-4-12-37-31(34)35/h1-3,5-6,8-11,13,17-18,24-26,42H,4,7,12,14-15H2,(H2,33,43)(H,36,38)(H,39,45)(H,40,44)(H,41,46)(H4,34,35,37)/b21-13+/t24-,25-,26+/m1/s1
PubChem CID45487292
ChEMBLCHEMBL565900
IUPHARN/A
BindingDBN/A
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
64601Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
64602Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
64603Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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