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Name | CHEMBL395357 |
---|---|
Molecular formula | C39H65N11O10 |
IUPAC name | 4-[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]benzoic acid |
Molecular weight | 848.016 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | -2.7 |
Synonyms | N/A |
Inchi Key | BANXBLUMKNBQEX-LCEIJQIJSA-N |
Inchi ID | InChI=1S/C39H65N11O10/c1-7-21(5)30(32(41)53)49-36(57)28(17-23-11-13-24(14-12-23)38(59)60)48-34(55)26(10-9-15-44-39(42)43)46-29(52)18-45-37(58)31(22(6)8-2)50-35(56)27(16-20(3)4)47-33(54)25(40)19-51/h11-14,20-22,25-28,30-31,51H,7-10,15-19,40H2,1-6H3,(H2,41,53)(H,45,58)(H,46,52)(H,47,54)(H,48,55)(H,49,57)(H,50,56)(H,59,60)(H4,42,43,44)/t21-,22-,25-,26-,27-,28-,30-,31-/m0/s1 |
PubChem CID | 44433878 |
ChEMBL | CHEMBL395357 |
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 |
---|---|---|---|---|---|
536466 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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