SARALASIN


SMILES CNCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C
InChIKey PFGWGEPQIUAZME-NXSMLHPHSA-N
Sequence None

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 25
Molecular weight (Da) 911.5

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
AT2 AGTR2 Human Angiotensin A pKi 9.42 9.55 9.82 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 9.48 9.63 9.77 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.01 8.01 8.01 Drug Central
AT2 AGTR2 Human Angiotensin A pKi 8.01 8.01 8.01 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTRA Rat Angiotensin A pEC50 8.12 8.17 8.22 ChEMBL
AT2 AGTR2 Human Angiotensin A pIC50 8.88 9.17 9.35 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 9.0 9.29 9.46 ChEMBL
AT1 AGTR1 Human Angiotensin A pEC50 7.96 7.96 7.96 ChEMBL
AT2 AGTR2 Rat Angiotensin A pIC50 8.05 8.05 8.05 Drug Central