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Name | CHEMBL238406 |
---|---|
Molecular formula | C39H67N11O9 |
IUPAC name | (2S,3S)-2-[[(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]-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylpentanamide |
Molecular weight | 834.033 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 12 |
XlogP | 0.0 |
Synonyms | N/A |
Inchi Key | IDQIUUSKJXPWLA-GFWSYSKKSA-N |
Inchi ID | InChI=1S/C39H67N11O9/c1-7-22(5)31(33(41)54)49-36(57)28(16-13-24-11-14-25(52)15-12-24)47-35(56)27(10-9-17-44-39(42)43)46-30(53)19-45-38(59)32(23(6)8-2)50-37(58)29(18-21(3)4)48-34(55)26(40)20-51/h11-12,14-15,21-23,26-29,31-32,51-52H,7-10,13,16-20,40H2,1-6H3,(H2,41,54)(H,45,59)(H,46,53)(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H4,42,43,44)/t22-,23-,26-,27-,28-,29-,31-,32-/m0/s1 |
PubChem CID | 44433880 |
ChEMBL | CHEMBL238406 |
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 |
---|---|---|---|---|---|
539287 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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