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Name | CHEMBL3582445 |
---|---|
Molecular formula | C35H45N11O5 |
IUPAC name | (3S)-3-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-6-(diaminomethylideneamino)hexanamide |
Molecular weight | 699.817 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | -0.4 |
Synonyms | BDBM50092134 |
Inchi Key | FIBNUCOPNWMPIQ-ZPNBPFPUSA-N |
Inchi ID | InChI=1S/C35H45N11O5/c1-21(47)43-30(16-25-19-39-20-42-25)34(51)46-29(14-22-8-3-2-4-9-22)33(50)44-24(10-7-13-40-35(37)38)17-31(48)45-28(32(36)49)15-23-18-41-27-12-6-5-11-26(23)27/h2-6,8-9,11-12,18-20,24,28-30,41H,7,10,13-17H2,1H3,(H2,36,49)(H,39,42)(H,43,47)(H,44,50)(H,45,48)(H,46,51)(H4,37,38,40)/t24-,28-,29+,30-/m0/s1 |
PubChem CID | 122179551 |
ChEMBL | CHEMBL3582445 |
IUPHAR | N/A |
BindingDB | 50092134 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
472625 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
472624 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
472623 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
472626 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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