Ligand Data
Ligand
| Name | CHEMBL3261372 |
| SMILES | O=c1[nH]/c(=N\OCCCc2ccsc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O |
| InChIKey | SGLXVPVUSHCSPV-NMFUWQPSSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 13 |
| Molecular weight | 623.0 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| P2Y4 | P2RY4 | Human | P2Y | A (Rhodopsin) | 20.0 | 20.0 | 20.0 | |||
| P2Y6 | P2RY6 | Human | P2Y | A (Rhodopsin) | 164 | 164 | 164 | |||
| P2Y2 | P2RY2 | Human | P2Y | A (Rhodopsin) | 103 | 103 | 103 | |||