CHEMBL4578721
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C)C(=O)O |
InChIKey | GZSZZUXDAPDPOR-NGIFJXEWSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 14 |
Rotatable bonds | 26 |
Molecular weight (Da) | 872.5 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MAS1 | MAS | Human | A orphans | A | pIC50 | 9.52 | 9.52 | 9.52 | ChEMBL |