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Name | CHEMBL455826 |
---|---|
Molecular formula | C41H49N11O5 |
IUPAC name | (2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-benzylphenyl)propanoyl]amino]-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 775.915 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 9 |
XlogP | 1.9 |
Synonyms | BDBM50252895 Ac-His-DPhe(pBz)-Arg-Trp-NH2 |
Inchi Key | IAXQJICNQNNYCU-KFIZHRIMSA-N |
Inchi ID | InChI=1S/C41H49N11O5/c1-25(53)49-36(21-30-23-45-24-48-30)40(57)52-35(19-28-15-13-27(14-16-28)18-26-8-3-2-4-9-26)39(56)50-33(12-7-17-46-41(43)44)38(55)51-34(37(42)54)20-29-22-47-32-11-6-5-10-31(29)32/h2-6,8-11,13-16,22-24,33-36,47H,7,12,17-21H2,1H3,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t33-,34-,35+,36-/m0/s1 |
PubChem CID | 25108140 |
ChEMBL | CHEMBL455826 |
IUPHAR | N/A |
BindingDB | 50252895 |
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 |
---|---|---|---|---|---|
128852 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
128851 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
128854 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
128853 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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