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Ligand

NameCHEMBL569696
Molecular formulaC31H36F3N9O4
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
Molecular weight655.683
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP1.5
Synonyms(S)-2-((R)-2-((S)-3-(1H-imidazol-5-yl)-2-(3-(3-(trifluoromethyl)phenyl)acrylamido)propanamido)-3-phenylpropanamido)-5-guanidinopentanamide
BDBM50301130
Inchi KeyAVSRZZMIFZBOQS-ZUQJSNLJSA-N
Inchi IDInChI=1S/C31H36F3N9O4/c32-31(33,34)21-9-4-8-20(14-21)11-12-26(44)41-25(16-22-17-38-18-40-22)29(47)43-24(15-19-6-2-1-3-7-19)28(46)42-23(27(35)45)10-5-13-39-30(36)37/h1-4,6-9,11-12,14,17-18,23-25H,5,10,13,15-16H2,(H2,35,45)(H,38,40)(H,41,44)(H,42,46)(H,43,47)(H4,36,37,39)/b12-11+/t23-,24-,25+/m1/s1
PubChem CID45487410
ChEMBLCHEMBL569696
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15603Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
15600Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
15601Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
15602Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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