Ligand Data

Ligand

id 208004
Name ENDOTHELIN
SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC
InChIKey ZUBDGKVDJUIMQQ-UBFCDGJISA-N
Type protein
External Links
Structure pdb 5GLH

Structure

Properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
ETB EDNRB Bovine Endothelin A (Rhodopsin) 0.1 500.1 1000.0
ETA EDNRA Pig Endothelin A (Rhodopsin) 0.0 0.1 0.1
ETB EDNRB Rat Endothelin A (Rhodopsin) 0.0 0.5 1.6
ETA EDNRA Rat Endothelin A (Rhodopsin) 0.0 0.1 0.1
ETB EDNRB Human Endothelin A (Rhodopsin) 0.1 0.1 0.2
ETA EDNRA Human Endothelin A (Rhodopsin) 0.0 0.2 0.4