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Name | CHEMBL3752716 |
---|---|
Molecular formula | C27H36N6O4 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 508.623 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 4.6 |
Synonyms | N/A |
Inchi Key | AYWJKYHALCJUMS-JBUDQFAYSA-N |
Inchi ID | InChI=1S/C27H36N6O4/c1-3-17(2)24(27(36)28-16-23-30-19-11-7-8-12-20(19)31-23)33-25(34)21(15-18-9-5-4-6-10-18)32-26(35)22-13-14-29-37-22/h7-8,11-14,17-18,21,24H,3-6,9-10,15-16H2,1-2H3,(H,28,36)(H,30,31)(H,32,35)(H,33,34)/t17-,21-,24-/m0/s1 |
PubChem CID | 56640475 |
ChEMBL | CHEMBL3752716 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
522007 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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