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Name | CHEMBL236099 |
---|---|
Molecular formula | C32H53N11O9 |
IUPAC name | (2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-3-methylpentanamide |
Molecular weight | 735.844 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 10 |
XlogP | -2.4 |
Synonyms | N/A |
Inchi Key | JADMDVDOSPTJRL-ROWCBPRQSA-N |
Inchi ID | InChI=1S/C32H53N11O9/c1-5-18(4)26(42-30(49)24(13-17(2)3)41-28(47)21(33)16-44)31(50)38-15-25(45)39-22(7-6-12-37-32(35)36)29(48)40-23(27(34)46)14-19-8-10-20(11-9-19)43(51)52/h8-11,17-18,21-24,26,44H,5-7,12-16,33H2,1-4H3,(H2,34,46)(H,38,50)(H,39,45)(H,40,48)(H,41,47)(H,42,49)(H4,35,36,37)/t18-,21-,22-,23-,24-,26-/m0/s1 |
PubChem CID | 44433948 |
ChEMBL | CHEMBL236099 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
539721 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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