BDBM338 (3R,4S,5S,6R)-3,6-Bis(benzyl)-4,5-dihydroxy-2-[(N-2-thiazolylcarbamoyl)methyl]-7-[4-(2-thienyl)benzyl]-1,2,7-thiadiazepine 1,1-Dioxide::2-[(3R,4S,5S,6R)-4,5-dihydroxy-1,1-dioxo-3,6-bis(phenoxymethyl)-7-{[4-(thiophen-2-yl)phenyl]methyl}-1,2,7-thiadiazepan-2-yl]-N-(1,3-thiazol-2-yl)acetamide::Cyclic Sulfamide deriv. 16

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=VJIXURHCUSPWQO-KMYPOQQFSA-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 = 338   

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)	BDBM338 ((3R,4S,5S,6R)-3,6-Bis(benzyl)-4,5-dihydroxy-2-[(N-...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C34H34N4O7S3/c39-31(36-34-35-17-19-47-34)21-38-29(23-45-27-10-5-2-6-11-27)33(41)32(40)28(22-44-26-8-3-1-4-9-26)37(48(38,42)43)20-24-13-15-25(16-14-24)30-12-7-18-46-30/h1-19,28-29,32-33,40-41H,20-23H2,(H,35,36,39)/t28-,29-,32+,33+/m1/s1	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	-7.96	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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