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Name | b-FNA-HCl |
---|---|
Molecular formula | C25H30N2O6 |
IUPAC name | methyl (E)-4-[[(4R,4aR,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate |
Molecular weight | 454.523 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | -0.3 |
Synonyms | BDBM82553 CAS_72786-10-8 |
Inchi Key | PQKHESYTSKMWFP-IQUTTXILSA-N |
Inchi ID | InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16?,18-,23+,24+,25+/m1/s1 |
PubChem CID | 57339688 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 82553 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
266224 | Delta-type opioid receptor | P41143 | OPRD1 | Homo sapiens (Human) | 372 |
461523 | Delta-type opioid receptor | P79291 | OPRD1 | Sus scrofa (Pig) | 228 |
266225 | Kappa-type opioid receptor | P41145 | OPRK1 | Homo sapiens (Human) | 380 |
266226 | Kappa-type opioid receptor | P41144 | OPRK1 | Cavia porcellus (Guinea pig) | 380 |
266223 | Mu-type opioid receptor | P97266 | OPRM1 | Cavia porcellus (Guinea pig) | 98 |
556515 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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