SOMATOSTATIN


SMILES C[C@H](N)C(=O)NCC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC1=O
InChIKey NHXLMOGPVYXJNR-ATOGVRKGSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7XMS 7WJ5 7XAT 7XMR 7T10 7Y27 7WIC

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pKi 8.64 9.27 9.54 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 8.75 8.98 9.23 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 6.92 9.12 9.85 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.64 10.04 10.46 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 8.93 9.47 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST5 SSR5 Rat Somatostatin A pIC50 9.07 9.07 9.07 ChEMBL
SST2 SSR2 Mouse Somatostatin A pIC50 9.55 9.55 9.55 ChEMBL
SST3 SSR3 Mouse Somatostatin A pIC50 10.1 10.1 10.1 ChEMBL
SST1 SSR1 Human Somatostatin A pIC50 8.72 9.02 9.85 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 8.75 9.04 10.1 ChEMBL
SST5 SSR5 Human Somatostatin A pEC50 9.72 9.96 10.19 ChEMBL
SST5 SSR5 Human Somatostatin A pIC50 8.0 8.7 9.7 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 9.15 9.22 9.4 ChEMBL
SST2 SSR2 Human Somatostatin A pEC50 10.0 10.0 10.0 ChEMBL
SST3 SSR3 Human Somatostatin A pIC50 8.48 8.72 9.4 ChEMBL
SST3 SSR3 Human Somatostatin A pEC50 9.11 9.11 9.11 ChEMBL
μ OPRM Rat Opioid A pIC50 8.22 8.22 8.22 ChEMBL