setmelanotide


SMILES NC(=NCCC[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)C)Cc1[nH]cnc1)Cc1ccccc1)CCCN=C(N)N)Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)C)N
InChIKey HDHDTKMUACZDAA-PHNIDTBTSA-N
Sequence RCAHFRWC

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 15
Rotatable bonds 18
Molecular weight (Da) 1116.5

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7AUE 7PIU
Ligand site mutations MC4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MC1 MSHR Human Melanocortin A pKi 8.41 8.41 8.41 Guide to Pharmacology
MC3 MC3R Human Melanocortin A pKi 8.0 8.0 8.0 Guide to Pharmacology
MC4 MC4R Human Melanocortin A pKi 8.68 8.68 8.68 Guide to Pharmacology
MC5 MC5R Human Melanocortin A pKi 6.37 6.37 6.37 Guide to Pharmacology
MC4 MC4R Rat Melanocortin A pKi 8.57 8.57 8.57 Guide to Pharmacology
MC5 MC5R Human Melanocortin A pKi 8.2 8.2 8.2 Drug Central
MC4 MC4R Human Melanocortin A pKd 8.06 8.06 8.06 Drug Central
MC1 MSHR Human Melanocortin A pKi 8.08 8.08 8.08 Drug Central
MC3 MC3R Human Melanocortin A pKi 8.1 8.1 8.1 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database