afamelanotide [621]



afamelanotide


SMILES CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(N)=O)C(C)C
InChIKey UAHFGYDRQSXQEB-LEBBXHLNSA-N
Sequence SYSXEHFRWGKPV
HELM PEPTIDE1{[ac].S.Y.S.[Nle].E.H.[dF].R.W.G.K.P.V.[am]}$$$$

Chemical Properties

Hydrogen bond acceptors 21
Hydrogen bond donors 23
Rotatable bonds 50
Log P -4.100
Molecular weight (Da) 1645.8
Stereochemistry info unspecified

Database connections

Structure pdb 7F4F 7F4H 7F54 7PIV
Model (AF2) MC4 MC3 MC1 MC5 MC4 MC3 MC1 MC5
Model (Boltz2) MC1
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

afamelanotide


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 5
Phase III 0
Phase IV 1

Database connections

Structure pdb 7F4F 7F4H 7F54 7PIV
Model (AF2) MC4 MC3 MC1 MC5 MC4 MC3 MC1 MC5
Model (Boltz2) MC1
GPCRdb related ligands

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score