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Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease M4' and Ligand = 'BDBM104109'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HIV-1 protease M4


(Human immunodeficiency virus)
BDBM104109
PNG
(3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxypheny...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C33H36N2O6S/c1-41-29-17-19-30(20-18-29)42(39,40)35(21-9-14-25-10-4-2-5-11-25)24-32(37)31(22-26-12-6-3-7-13-26)34-33(38)27-15-8-16-28(36)23-27/h2-8,10-13,15-20,23,31-32,36-37H,9,14,21-22,24H2,1H3,(H,34,38)/t31-,32+/m0/s1
PDB
MMDB

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MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
5.89n/an/an/an/an/an/an/an/a



Massachusetts Institute of Technology



Assay Description
HIV protease inhibitor activities were determined by fluorescence resonance energy transfer (FRET) method. Protease substrate, Arg-Glu-(EDANS)-Ser-G...


ACS Chem Biol 8: 2433-41 (2013)


Article DOI: 10.1021/cb400468c
More data for this
Ligand-Target Pair