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
Sequence None

Chemical properties

Hydrogen bond acceptors 23
Hydrogen bond donors 22
Rotatable bonds 26
Molecular weight (Da) 1636.7

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7Y27 7T10 7XMR 7WIC 7XAT 7WJ5 7XMS 8ZBJ 8ZBI

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
SST5 SSR5 Human Somatostatin A pKi 8.63 9.42 9.92 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 8.93 9.47 10.0 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.64 10.04 10.46 ChEMBL
SST4 SSR4 Human Somatostatin A pKi 8.75 8.98 9.23 ChEMBL
SST1 SSR1 Human Somatostatin A pKi 8.02 8.02 8.02 Drug Central
SST2 SSR2 Human Somatostatin A pKi 7.98 7.98 7.98 Drug Central
SST3 SSR3 Human Somatostatin A pKi 8.0 8.0 8.0 Drug Central
SST4 SSR4 Human Somatostatin A pKi 8.03 8.03 8.03 Drug Central
SST5 SSR5 Human Somatostatin A pKi 8.01 8.01 8.01 Drug Central
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
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
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
SST2 SSR2 Human Somatostatin A pEC50 10.0 10.0 10.0 ChEMBL
SST2 SSR2 Human Somatostatin A pIC50 9.15 9.22 9.4 ChEMBL
δ OPRD Rat Opioid A pIC50 5.7 5.7 5.7 ChEMBL
SST4 SSR4 Human Somatostatin A pIC50 8.75 9.04 10.1 ChEMBL
μ OPRM Rat Opioid A pIC50 8.22 8.22 8.22 ChEMBL
δ OPRD Rat Opioid A pIC50 8.24 8.24 8.24 Drug Central
SST5 SSR5 Rat Somatostatin A pIC50 8.04 8.04 8.04 Drug Central
μ OPRM Rat Opioid A pIC50 8.09 8.09 8.09 Drug Central
SST3 SSR3 Mouse Somatostatin A pIC50 8.0 8.0 8.0 Drug Central
SST2 SSR2 Mouse Somatostatin A pIC50 8.02 8.02 8.02 Drug Central