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SMILES: O[C@H]1CN(Cc2ccccc2-c2cc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2-c2cc3ccccc3o2)C[C@@H]1O

InChI Key: InChIKey=NIBXFUBAUTVIGY-KYJUHHDHSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 4441   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4441
PNG
((4S,5S)-2,7-bis({[2-(1-benzofuran-2-yl)phenyl]meth...)
Show SMILES O[C@H]1CN(Cc2ccccc2-c2cc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2-c2cc3ccccc3o2)C[C@@H]1O |r|
Show InChI InChI=1S/C34H30N2O6S/c37-29-21-35(19-25-11-1-5-13-27(25)33-17-23-9-3-7-15-31(23)41-33)43(39,40)36(22-30(29)38)20-26-12-2-6-14-28(26)34-18-24-10-4-8-16-32(24)42-34/h1-18,29-30,37-38H,19-22H2/t29-,30-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 530 -8.70n/an/an/an/an/a5.030



Uppsala University



Assay Description
The effects of the inhibitors on the activity of HIV-1 proteinase was determined by a fluorometric assay with an internally quenched fluorescent pept...

Bioorg Med Chem 13: 755-64 (2005)


Article DOI: 10.1016/j.bmc.2004.10.042
BindingDB Entry DOI: 10.7270/Q26M351B
More data for this
Ligand-Target Pair