BDBM333 (3R,4S,5S,6R)-2-benzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-7-{[4-(thiophen-2-yl)phenyl]methyl}-1,2,7-thiadiazepane-1,1-dione::(3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-7-benzyl-2-[4-(2-thienyl)benzyl]-1,2,7-thiadiazepine 1,1-Dioxide::Cyclic Sulfamide deriv. 11

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=SQYQMSXWYITDJM-IHIHPJAWSA-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 = 333   

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)	BDBM333 ((3R,4S,5S,6R)-2-benzyl-4,5-dihydroxy-3,6-bis(pheno...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C36H36N2O6S2/c39-35-32(25-43-30-13-6-2-7-14-30)37(23-27-11-4-1-5-12-27)46(41,42)38(33(36(35)40)26-44-31-15-8-3-9-16-31)24-28-18-20-29(21-19-28)34-17-10-22-45-34/h1-22,32-33,35-36,39-40H,23-26H2/t32-,33-,35+,36+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-9.98	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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