BDBM330 (3R,4S,5S,6R)-2-benzyl-4,5-dihydroxy-7-methyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::(3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-7-methyl-2-benzyl-1,2,7-thiadiazepine 1,1-Dioxide::Cyclic Sulfamide deriv. 8

SMILES: CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O

InChI Key: InChIKey=JGESUXRXNORBLL-XPGKHFPBSA-N

Data: 1 KI

PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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 = 330   

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)	BDBM330 ((3R,4S,5S,6R)-2-benzyl-4,5-dihydroxy-7-methyl-3,6-...) Show SMILES CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S1(=O)=O |r| Show InChI InChI=1S/C26H30N2O6S/c1-27-23(18-33-21-13-7-3-8-14-21)25(29)26(30)24(19-34-22-15-9-4-10-16-22)28(35(27,31)32)17-20-11-5-2-6-12-20/h2-16,23-26,29-30H,17-19H2,1H3/t23-,24-,25+,26+/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
					More data for this Ligand-Target Pair