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BDBM701 (2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis(phenylsulfanyl)hexanediamide::Diol-Based HIV-1 protease inhibitor 14::N1,N6-Di-[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-3,4-dihydroxy-2,5-di(phenylsulfanyl)hexanediamide

SMILES: CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C

InChI Key: InChIKey=FXXCOXGHNXZQPW-XOGRSFEHSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 701   
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)		BDBM701
PNG
((2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](Sc1ccccc1)[C@H](O)[C@@H](O)[C@@H](Sc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Show InChI InChI=1S/C30H42N4O6S2/c1-17(2)21(27(37)31-5)33-29(39)25(41-19-13-9-7-10-14-19)23(35)24(36)26(42-20-15-11-8-12-16-20)30(40)34-22(18(3)4)28(38)32-6/h7-18,21-26,35-36H,1-6H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t21-,22-,23+,24+,25+,26+/m0/s1
PDB
MMDB

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Similars
Article
PubMed
 1.80 -12.1n/an/an/an/an/a5.030



Stockholm 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: 3402-6 (2001)


Article DOI: 10.1021/jm0011169
BindingDB Entry DOI: 10.7270/Q2R78CCC
More data for this
Ligand-Target Pair