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Name | CHEMBL307457 |
---|---|
Molecular formula | C39H50N12O8 |
IUPAC name | (4S)-4-acetamido-5-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
Molecular weight | 814.905 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | -0.8 |
Synonyms | Ac-Glu-His-DPhe-Arg-Trp-NH2 BDBM50100751 |
Inchi Key | IBSSPYAGEMWLBR-NRQMHRBESA-N |
Inchi ID | InChI=1S/C39H50N12O8/c1-22(52)47-29(13-14-33(53)54)36(57)51-32(18-25-20-43-21-46-25)38(59)50-31(16-23-8-3-2-4-9-23)37(58)48-28(12-7-15-44-39(41)42)35(56)49-30(34(40)55)17-24-19-45-27-11-6-5-10-26(24)27/h2-6,8-11,19-21,28-32,45H,7,12-18H2,1H3,(H2,40,55)(H,43,46)(H,47,52)(H,48,58)(H,49,56)(H,50,59)(H,51,57)(H,53,54)(H4,41,42,44)/t28-,29-,30-,31+,32-/m0/s1 |
PubChem CID | 10952895 |
ChEMBL | CHEMBL307457 |
IUPHAR | N/A |
BindingDB | 50100751 |
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 |
---|---|---|---|---|---|
129401 | Melanocortin receptor 3 | P33033 | Mc3r | Mus musculus (Mouse) | 323 |
129400 | Melanocortin receptor 4 | P56450 | Mc4r | Mus musculus (Mouse) | 332 |
129398 | Melanocortin receptor 5 | P41149 | Mc5r | Mus musculus (Mouse) | 325 |
129399 | Melanocyte-stimulating hormone receptor | Q01727 | Mc1r | Mus musculus (Mouse) | 315 |
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