vMIP-II


SMILES NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CCCN=C(N)N)CCCN=C(N)N)CCC(=O)N)C(C)C)C(=O)O)[C@H](O)C
InChIKey JOEHPBQVSCDCHE-BKGQOYFSSA-N
Sequence LGASWHRPDKCCLGYQKRPLPQVLLSSWYPTSQLCSKPGVIFLTKRGRQVCADKSKDWVKKLMQQLPVTA

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 19
Rotatable bonds 22
Molecular weight (Da) 1307.7

Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR1 CCR1 Human Chemokine A pIC50 8.1 8.1 8.1 Guide to Pharmacology
CCR2 CCR2 Human Chemokine A pIC50 9.1 9.1 9.1 Guide to Pharmacology
CCR5 CCR5 Human Chemokine A pIC50 8.3 8.3 8.3 Guide to Pharmacology
CCR8 CCR8 Human Chemokine A pIC50 8.1 8.1 8.1 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pIC50 8.2 8.2 8.2 Guide to Pharmacology