BQ123


SMILES CC(C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2)CC(=O)O)C(C)C)C
InChIKey VYCMAAOURFJIHD-PJNXIOHISA-N
Sequence DPVLW

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 610.3

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
ETB EDNRB Rat Endothelin A pKi 4.5 4.83 5.16 ChEMBL
ETA EDNRA Rat Endothelin A pKi 7.4 7.4 7.4 ChEMBL
ETA EDNRA Human Endothelin A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pA2 6.9 7.15 7.4 Guide to Pharmacology
ETA EDNRA Rat Endothelin A pIC50 7.55 7.7 7.85 ChEMBL
ETA EDNRA Human Endothelin A pIC50 7.43 7.96 9.21 ChEMBL
ETA EDNRA Pig Endothelin A pIC50 4.66 6.16 7.66 ChEMBL
ETB EDNRB Pig Endothelin A pIC50 4.64 4.7 4.75 ChEMBL