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Name | CHEMBL3315335 |
---|---|
Molecular formula | C39H70N12O8 |
IUPAC name | (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-amino-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]butanediamide |
Molecular weight | 835.065 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 10 |
XlogP | -0.4 |
Synonyms | BDBM50049422 |
Inchi Key | GXEWWEPRKCMGJF-WPMUBMLPSA-N |
Inchi ID | InChI=1S/C39H70N12O8/c1-22(2)18-27(46-32(53)15-14-24-10-6-5-7-11-24)35(56)49-28(19-23(3)4)36(57)50-29(21-40)38(59)51-17-9-13-30(51)37(58)47-25(12-8-16-45-39(43)44)34(55)48-26(33(42)54)20-31(41)52/h22-30H,5-21,40H2,1-4H3,(H2,41,52)(H2,42,54)(H,46,53)(H,47,58)(H,48,55)(H,49,56)(H,50,57)(H4,43,44,45)/t25-,26-,27-,28-,29-,30-/m0/s1 |
PubChem CID | 102340758 |
ChEMBL | CHEMBL3315335 |
IUPHAR | N/A |
BindingDB | 50049422 |
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 |
---|---|---|---|---|---|
445945 | Neuromedin-U receptor 1 | Q9HB89 | NMUR1 | Homo sapiens (Human) | 426 |
445944 | Neuromedin-U receptor 2 | Q9GZQ4 | NMUR2 | Homo sapiens (Human) | 415 |
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