Brief Information of the Compound and Protein
Compound Name
(5S,15S,18S,21S,23S,28S,31S,34S,37R,40S,50S)-50-amino-15-(2-amino-2-oxoethyl)-34,40-dibenzyl-18,31-bis[3-(diaminomethylideneamino)propyl]-56-(hexadecylsulfanylmethyl)-37-(2-methylpropyl)-7,14,17,20,30,33,36,39,42,49-decaoxo-3,52-dithia-6,13,16,19,29,32,35,38,41,48-decazatetracyclo[52.3.1.021,29.023,28]octapentaconta-1(57),54(58),55-triene-5-carboxamide
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PubChem ID
CID: 145948945
Canonical SMILES
CCCCCCCCCCCCCCCCSCc1cc2CSC[C@@H](N)C(=O)NCCCCCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3[C@H]4CCCC[C@H]4C[C@H]3C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCC(=O)N[C@H](CSCc(c1)c2)C(N)=O
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Compound Formula C92H147N19O12S3
Compound Structure
Protein Name
Neuromedin-U receptor 1
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Short peptide receptor (family A GPCR)
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Neuromedin U receptor
Uniprot ID
Q9HB89
Gene Name
NMUR1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 6309.57 nM
   TI
   LI
   LO
   TS