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Name | CHEMBL281963 |
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Molecular formula | C26H36N4O7 |
IUPAC name | (2R)-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]propanoyl]amino]butanedioic acid |
Molecular weight | 516.595 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 1.9 |
Synonyms | 2-{3-(1H-Indol-3-yl)-2-[4-methyl-2-(3-methyl-butyrylamino)-pentanoylamino]-propionylamino}-succinic acid BDBM50284699 CTK0B6816 141594-22-1 D-Aspartic acid, N-[N-[N-(3-methyl-1-oxobutyl)-L-leucyl]-D-tryptophyl]- [ Show all ] |
Inchi Key | BGAFRSMYVYPPOT-PWRODBHTSA-N |
Inchi ID | InChI=1S/C26H36N4O7/c1-14(2)9-19(28-22(31)10-15(3)4)24(34)29-20(25(35)30-21(26(36)37)12-23(32)33)11-16-13-27-18-8-6-5-7-17(16)18/h5-8,13-15,19-21,27H,9-12H2,1-4H3,(H,28,31)(H,29,34)(H,30,35)(H,32,33)(H,36,37)/t19-,20+,21+/m0/s1 |
PubChem CID | 44279479 |
ChEMBL | CHEMBL281963 |
IUPHAR | N/A |
BindingDB | 50284699 |
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 |
---|---|---|---|---|---|
22785 | Endothelin-1 receptor | Q29010 | EDNRA | Sus scrofa (Pig) | 427 |
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