sarafotoxin S6b


SMILES NCCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(=O)O)CCSC)[C@H](O)C)CC(=O)O)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N2)CO)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)C(C)C)CC(=O)O)CCC(=O)N)Cc1c[nH]cn1)Cc1ccccc1
InChIKey ZHRYDGYRZIWZPS-RAALVGGVSA-N
Sequence CSCKDMTDKECLYFCHQDVIW

Chemical properties

Hydrogen bond acceptors 38
Hydrogen bond donors 34
Rotatable bonds 51
Molecular weight (Da) 2562.0

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6LRY

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Rat Endothelin A pKi 9.62 9.84 10.06 ChEMBL
ETB EDNRB Rat Endothelin A pKi 10.89 10.91 10.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 7.5 7.8 8.1 Guide to Pharmacology