buserelin
| SMILES | CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)CO)COC(C)(C)C)CC(C)C)CCCN=C(N)N |
| InChIKey | CUWODFFVMXJOKD-UVLQAERKSA-N |
| Sequence | XHWSYSLRP |
Chemical properties
| Hydrogen bond acceptors | 15 |
| Hydrogen bond donors | 15 |
| Rotatable bonds | 32 |
| Molecular weight (Da) | 1238.7 |
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKi | 9.4 | 9.7 | 10.0 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pKd | 9.52 | 9.96 | 10.4 | Guide to Pharmacology |
| LH | LSHR | Human | Glycoprotein hormone | A | pKd | 8.07 | 8.07 | 8.07 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 10.52 | 10.52 | 10.52 | Guide to Pharmacology |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pEC50 | 9.34 | 9.7 | 10.05 | Guide to Pharmacology |
| GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pEC50 | 7.98 | 7.98 | 7.98 | Drug Central |
| GnRH1 | GNRHR | Mouse | Gonadotrophin-releasing hormone | A | pEC50 | 8.0 | 8.0 | 8.0 | Drug Central |