BDBM323 (3R,4S,5S,6R)-2,7-Bismethyl-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepine 1,1-Dioxide::(3R,4S,5S,6R)-4,5-dihydroxy-2,7-dimethyl-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::Cyclic Sulfamide deriv. 1

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

InChI Key: InChIKey=QLCXYAHOWGNDHH-ZRNYENFQSA-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 = 323   

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)	BDBM323 ((3R,4S,5S,6R)-2,7-Bismethyl-3,6-bis(phenoxymethyl)...) Show SMILES CN1[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N(C)S1(=O)=O |r| Show InChI InChI=1S/C20H26N2O6S/c1-21-17(13-27-15-9-5-3-6-10-15)19(23)20(24)18(22(2)29(21,25)26)14-28-16-11-7-4-8-12-16/h3-12,17-20,23-24H,13-14H2,1-2H3/t17-,18-,19+,20+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	710	-8.52	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