Ligand Data

Ligand

id 90094
Name CHEMBL2371902
SMILES CCCCC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O
InChIKey DFGYWNKGJINCNI-LVRNBHEBSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 10
Rotatable bonds 13
Molecular weight 974.5


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
MC1 MSHR Human Melanocortin A (Rhodopsin) 5.0 5.0 5.0
MC4 MC4R Human Melanocortin A (Rhodopsin) 3.0 3.0 3.0