BDBM324 (3R,4S,5S,6R)-2,7-Bis[(N-methylcarbamoyl)methyl]-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepine 1,1-Dioxide::2-[(3R,4S,5S,6R)-4,5-dihydroxy-7-[(methylcarbamoyl)methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]-N-methylacetamide::Cyclic Sulfamide deriv. 2

SMILES: CNC(=O)CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)NC)S1(=O)=O

InChI Key: InChIKey=XMBUPTFPXOMFLK-CHOVIJNXSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 324   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
HIV-1 Protease (Human immunodeficiency virus type 1)	BDBM324 ((3R,4S,5S,6R)-2,7-Bis[(N-methylcarbamoyl)methyl]-3...) Show SMILES CNC(=O)CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(CC(=O)NC)S1(=O)=O |r| Show InChI InChI=1S/C24H32N4O8S/c1-25-21(29)13-27-19(15-35-17-9-5-3-6-10-17)23(31)24(32)20(16-36-18-11-7-4-8-12-18)28(37(27,33)34)14-22(30)26-2/h3-12,19-20,23-24,31-32H,13-16H2,1-2H3,(H,25,29)(H,26,30)/t19-,20-,23+,24+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.50E+4	-6.38	n/a	n/a	n/a	n/a	n/a	5.0	30
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) Article DOI: 10.1021/jm001024j BindingDB Entry DOI: 10.7270/Q2JM27T6
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