eledoisin


SMILES NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCSC)CC(C)C)[C@H](CC)C)Cc1ccccc1)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)CO
InChIKey AYLPVIWBPZMVSH-FCKMLYJASA-N
Sequence XPSKDAFIGLM

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 14
Rotatable bonds 36
Molecular weight (Da) 1187.6

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 8.6 8.6 8.6 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pIC50 6.2 6.4 6.6 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pEC50 8.18 8.69 9.66 ChEMBL
NK3 NK3R Human Tachykinin A pIC50 7.02 7.02 7.02 ChEMBL
NK3 NK3R Human Tachykinin A pEC50 8.02 8.02 8.02 Drug Central
NK1 NK1R Human Tachykinin A pIC50 8.07 8.07 8.07 Drug Central