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BDBM332 (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-7-benzyl-2-[(N-2-thiazolylcarbamoyl)methyl]-1,2,7-thiadiazepine 1,1-Dioxide::2-[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]-N-(1,3-thiazol-2-yl)acetamide::Cyclic Sulfamide deriv. 10

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=FXKDNYVQGLYSRE-KFADFNFCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 332   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM332
PNG
((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...)
Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r|
Show InChI InChI=1S/C30H32N4O7S2/c35-27(32-30-31-16-17-42-30)19-34-26(21-41-24-14-8-3-9-15-24)29(37)28(36)25(20-40-23-12-6-2-7-13-23)33(43(34,38)39)18-22-10-4-1-5-11-22/h1-17,25-26,28-29,36-37H,18-21H2,(H,31,32,35)/t25-,26-,28+,29+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
350 -8.95n/an/an/an/an/a5.030



Uppsala University



Assay Description
A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid...


J Med Chem 44: 155-69 (2001)


BindingDB Entry DOI: 10.7270/Q2JM27T6
More data for this
Ligand-Target Pair