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Name | CHEMBL349795 |
---|---|
Molecular formula | C30H40N10O5S |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-amino-1-oxo-3-thiophen-2-ylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide |
Molecular weight | 652.775 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 8 |
XlogP | -0.4 |
Synonyms | Ac-His-D-Phe-Arg-2Thi-NH2 BDBM50122065 |
Inchi Key | GPEVQQNWXZZSBB-NDBXHCKUSA-N |
Inchi ID | InChI=1S/C30H40N10O5S/c1-18(41)37-25(14-20-16-34-17-36-20)29(45)40-24(13-19-7-3-2-4-8-19)28(44)38-22(10-5-11-35-30(32)33)27(43)39-23(26(31)42)15-21-9-6-12-46-21/h2-4,6-9,12,16-17,22-25H,5,10-11,13-15H2,1H3,(H2,31,42)(H,34,36)(H,37,41)(H,38,44)(H,39,43)(H,40,45)(H4,32,33,35)/t22-,23+,24-,25-/m0/s1 |
PubChem CID | 44369140 |
ChEMBL | CHEMBL349795 |
IUPHAR | N/A |
BindingDB | 50122065 |
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 |
---|---|---|---|---|---|
101875 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
101877 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
101878 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
101876 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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