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BDBM1163 (3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepan 1,1-Dioxide::(3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::CHEMBL130998::Cyclic Sulfamide 4::Cyclic Sulfamide deriv. 19
SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1
InChI Key: InChIKey=CAGHBXQSDLNCES-ZRTHHSRSSA-N
PDB links: 1 PDB ID matches this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM1163 ((3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet  | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PubMed | 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 Protease expressed in Escherichia coli | J Med Chem 42: 4054-61 (1999) BindingDB Entry DOI: 10.7270/Q2C53K2T | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM1163 ((3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PubMed | 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM1163 ((3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 19.1 | -10.9 | 200 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Uppsala University | Assay Description The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho... | J Med Chem 40: 885-97 (1997) Article DOI: 10.1021/jm960728j BindingDB Entry DOI: 10.7270/Q24B2ZGX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM1163 ((3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 23 | -10.6 | 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 | |||||||||||||
