Ap5a
SMILES | OC1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[O-])OC[C@H]2O[C@H](C(C2O)O)n2cnc3c2ncnc3N)O[C@H](C1O)n1cnc2c1ncnc2N |
InChIKey | DZDFIEYYTZFGFQ-ICIWVTHHSA-I |
Chemical properties
Hydrogen bond acceptors | 32 |
Hydrogen bond donors | 6 |
Rotatable bonds | 16 |
Molecular weight (Da) | 911.0 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |