pasireotide


SMILES NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)OCc1ccccc1)Cc1ccccc1)C[C@@H](C2)OC(=O)NCCN)c1ccccc1)Cc1c[nH]c2c1cccc2
InChIKey VMZMNAABQBOLAK-DBILLSOUSA-N
Sequence XXWKYF

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 9
Rotatable bonds 17
Molecular weight (Da) 1046.5

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8XIP 8XIR 9IK8 8ZCJ

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST1 SSR1 Human Somatostatin A pKi 8.2 8.2 8.2 ChEMBL
SST2 SSR2 Human Somatostatin A pKi 9.0 9.0 9.0 ChEMBL
SST3 SSR3 Human Somatostatin A pKi 9.1 9.1 9.1 ChEMBL
SST5 SSR5 Human Somatostatin A pKi 9.9 9.9 9.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SST2 SSR2 Rat Somatostatin A pEC50 7.76 7.01 9.07 Guide to Pharmacology
SST1 SSR1 Human Somatostatin A pIC50 8.0 8.0 8.0 Guide to Pharmacology
SST2 SSR2 Human Somatostatin A pIC50 9.0 9.0 9.0 Guide to Pharmacology
SST3 SSR3 Human Somatostatin A pIC50 8.8 8.8 8.8 Guide to Pharmacology
SST5 SSR5 Human Somatostatin A pIC50 9.8 9.8 9.8 Guide to Pharmacology
SST2 SSR2 Rat Somatostatin A pEC50 8.04 8.04 8.04 Drug Central
SST1 SSR1 Human Somatostatin A pIC50 8.1 8.1 8.1 Drug Central
SST2 SSR2 Human Somatostatin A pIC50 8.05 8.05 8.05 Drug Central
SST3 SSR3 Human Somatostatin A pIC50 8.06 8.06 8.06 Drug Central
SST5 SSR5 Human Somatostatin A pIC50 8.01 8.01 8.01 Drug Central