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Ligand

Name59880-97-6
Molecular formulaC21H31N3O5S
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
Molecular weight437.555
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.5
Synonyms(2S)-2-[[(2S)-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
(S)-2-((S)-2-((S)-2-Formamido-4-(methylthio)butanamido)-4-methylpentanamido)-3-phenylpropanoic acid
(S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-butyrylamino)-4-methyl-pentanoylamino]-3-phenyl-propionic acid
34065-EP2295055A2
34065-EP2311453A1
[ Show all ]
Inchi KeyPRQROPMIIGLWRP-BZSNNMDCSA-N
Inchi IDInChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
PubChem CID443295
ChEMBLCHEMBL267179
IUPHAR1022
BindingDB50050937
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
267107fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
554591fMet-Leu-Phe receptorP33766Fpr1Mus musculus (Mouse)364
452279Formyl peptide receptor-related sequence 1O08790Fpr-s1Mus musculus (Mouse)351
267109N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351
267110N-formyl peptide receptor 3P25089FPR3Homo sapiens (Human)353

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