EP39

Category	Human immunodeficiency Virus (HIV)
Description	EP39 is a potent HIV-1 maturation inhibitor. EP39 interacts with the SP1 domain of Gag. EP39 decreases the dynamics of CA-SP1 junction, by binding to the QVT motif of the SP1 domain, and perturbs the natural coil-helix equilibrium on both sides of the SP1 domain by stabilizing the transient alpha helical structure. EP39 acts by arresting maturation of HIV-1 thereby blocking its infectivity.

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Synonyms	EP39\|CS-0534416
Molecular Weight	626.91
Molecular Formula	C38H62N2O5
Canonical SMILES	CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCN
Purity	≥98% (HPLC)
Solubility	In vitro: 10 mM in DMSO
Appearance	Solid powder
Storage	Store at -20°C
Complexity	1230
Exact Mass	626.46587308
In Vitro	EP39 has binding affinity to different residues of SP1. SP1-T239 has the highest binding affinity (52.4 μM); SP1-S236, SP1-Q237 and SP1-V238 have relatively high binding affinities (179.6 μM, 154,5 μM and 204.4 μM, respectively); SP1-E233, SP1-M235 and NC-T257 have medium binding affinities (237.0 μM, 235,4 μM, 308.4 μM, respectively); CA-V221, CA-L231 and SP1-A232 have weak binding affinities (669.6 μM, 678.4 μM and 691.9 μM, respectively).
Target	HIV; HIV Protease
XLogP3-AA	5.7