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Name | CHEMBL181545 |
---|---|
Molecular formula | C27H43N3O4S |
IUPAC name | tert-butyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate |
Molecular weight | 505.718 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 0 |
XlogP | 4.9 |
Synonyms | BDBM50153122 {1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl}-acetic acid tert-butyl ester |
Inchi Key | ARSNLQCMDVFQDA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H43N3O4S/c1-20(2)21-10-12-23(13-11-21)28-16-14-24(15-17-28)30-25-9-7-6-8-22(25)18-29(35(30,32)33)19-26(31)34-27(3,4)5/h6-9,20-21,23-24H,10-19H2,1-5H3 |
PubChem CID | 44394405 |
ChEMBL | CHEMBL181545 |
IUPHAR | N/A |
BindingDB | 50153122 |
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 |
---|---|---|---|---|---|
12728 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
12731 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
12730 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
12729 | Nociceptin receptor | P41146 | OPRL1 | Homo sapiens (Human) | 370 |
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