BDBM336 (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-7-(3-iodobenzyl)-2-[(N-2-thiazolylcarbamoyl)methyl]-1,2,7-thiadiazepine 1,1-Dioxide::2-[(3R,4S,5S,6R)-4,5-dihydroxy-7-[(3-iodophenyl)methyl]-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]-N-(1,3-thiazol-2-yl)acetamide::Cyclic Sulfamide deriv. 14

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(I)c2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=KVNMMQYWUYFLTJ-KFADFNFCSA-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 = 336   

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)	BDBM336 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(I)c2)S(=O)(=O)N(CC(=O)Nc2nccs2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C30H31IN4O7S2/c31-22-9-7-8-21(16-22)17-34-25(19-41-23-10-3-1-4-11-23)28(37)29(38)26(20-42-24-12-5-2-6-13-24)35(44(34,39)40)18-27(36)33-30-32-14-15-43-30/h1-16,25-26,28-29,37-38H,17-20H2,(H,32,33,36)/t25-,26-,28+,29+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	510	-8.72	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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