retatrutide


SMILES CC[C@H](C)C(C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@](C)(CC(C)C)NC(=O)C([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)[C@H](CC9=CC=C(C=C9)O)N
InChIKey MLOLQJNKXBNWFW-SAGGEDDASA-N

Chemical properties

Hydrogen bond acceptors 64
Hydrogen bond donors 58
Rotatable bonds 159
Molecular weight (Da) 4728.5

Drug properties

Molecular type Protein
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8YWF 8YW4 8YW3 8YW5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GIP GIPR Human Glucagon B1 pKi 10.24 10.24 10.24 Guide to Pharmacology
GLP-1 GLP1R Human Glucagon B1 pKi 8.14 8.14 8.14 Guide to Pharmacology
glucagon GLR Human Glucagon B1 pKi 8.25 8.25 8.25 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GIP GIPR Human Glucagon B1 pEC50 10.19 10.19 10.19 Guide to Pharmacology
GLP-1 GLP1R Human Glucagon B1 pEC50 9.11 9.11 9.11 Guide to Pharmacology
glucagon GLR Human Glucagon B1 pEC50 8.24 8.24 8.24 Guide to Pharmacology